SCHEMBL117355

SCHEMBL117355

CC(C)(C)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.67
TRPV1 Q8NER1 1/20 0.64
EPHX2 P34913 1/20 0.62
NR1H4 Q96RI1 1/20 0.62
KIF11 P52732 1/20 0.61
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
UQCRB P14927 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KEAP1 Q14145 1/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17806556 0.94 KIF11 (0.71) NR3C2TRPV1EPHX2NR1H4KIF11
SCHEMBL1642622 0.83 KIF11 (0.62) NR3C2TRPV1EPHX2NR1H4KIF11
SCHEMBL12054668 0.83 KEAP1 (0.75) NR3C2KIF11ALDH1A1MAPTSMN1; SMN2
SCHEMBL8996277 0.81 NR3C2 (0.51) NR3C2TRPV1EPHX2NR1H4KIF11
SCHEMBL12567953 0.81 EPHX2 (0.80) TRPV1EPHX2NR1H4
SCHEMBL5633125 0.81 CA1 (0.66) KIF11ALDH1A1MAPTMEN1CYP1A2
SCHEMBL7263311 0.81 UQCRB (0.59) TRPV1EPHX2NR1H4ALDH1A1MAPT
SCHEMBL13656086 0.81 KIF11 (0.89) NR3C2EPHX2NR1H4KIF11ALDH1A1
SCHEMBL3631038 0.81 ALDH1A1 (0.54) NR3C2TRPV1EPHX2NR1H4ALDH1A1
SCHEMBL17404850 0.81 PTPN11 (0.56) NR3C2TRPV1EPHX2NR1H4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-16 US disclosed
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. 2023-03-02 US disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-02 US disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2021-04-08 US disclosed
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-23 US disclosed
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-30 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070149560-A1 Novel fused triazolones and the uses thereof ASTRAZENECA AB (SE) 2007-06-28 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA NR3C2 3587/4885TRPV1 3333/4885EPHX2 4394/4885
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 NR3C2 384/4885TRPV1 586/4885EPHX2 1171/4885
US-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 NR3C2 345/4885TRPV1 617/4885EPHX2 3896/4885
US-20230065217-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 NR3C2 166/4885TRPV1 522/4885EPHX2 1844/4885
US-10689381-B2 Vinblastine 20″ amides: synthetic analogs that maintain or improve potency and simultaneously overcome Pgp-derived efflux and resistance ABCG2, ABCC1, GLS NR3C2 4536/4885TRPV1 2459/4885EPHX2 4263/4885
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 NR3C2 842/4885TRPV1 1817/4885EPHX2 6/4885
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK NR3C2 4313/4885TRPV1 4137/4885EPHX2 3587/4885
US-20090111800-A1 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 NR3C2 125/4885TRPV1 4089/4885EPHX2 1765/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 NR3C2 440/4885TRPV1 326/4885EPHX2 671/4885
US-20070149560-A1 Novel fused triazolones and the uses thereof TP53, BRCA1, KLK3 NR3C2 2159/4885TRPV1 4615/4885EPHX2 1479/4885
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK NR3C2 4313/4885TRPV1 4137/4885EPHX2 3587/4885
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 NR3C2 701/4885TRPV1 4741/4885EPHX2 2731/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 NR3C2 4189/4885TRPV1 4563/4885EPHX2 2534/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 NR3C2 1269/4885TRPV1 2299/4885EPHX2 1527/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 NR3C2 2534/4885TRPV1 3740/4885EPHX2 2114/4885
US-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 NR3C2 4189/4885TRPV1 4563/4885EPHX2 2534/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 NR3C2 4189/4885TRPV1 4563/4885EPHX2 2534/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.