SCHEMBL3799533

SCHEMBL3799533

CC(C)(C)c1ccc2ccsc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CCR9 P51686 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.34
CYP2A6 P11509 2/20 0.33

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
SCHEMBL21025987 0.84 PTPRC (0.36) PTPRCPTPN6PTPN11PTPN22CYP2A6
SCHEMBL30565319 0.83 PTPRC (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1104448 0.83 PTPRC (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL12778757 0.80 ESR1 (0.44) ALDH1A1PTPRCPTPN6PTPN11PTPN22
SCHEMBL161509 0.79 PTPRC (0.45) PTPRCPTPN6PTPN11PTPN22MEN1
SCHEMBL26315531 0.78 PTPRC (0.32) PTPRCPTPN6PTPN11PTPN22
SCHEMBL15582380 0.78 PTPRC (0.42) PTPRCPTPN6PTPN11PTPN22
SCHEMBL6089544 0.76 LCK (0.45) PTPRCPTPN6PTPN11PTPN22CCR9
SCHEMBL25572184 0.76 PTPRC (0.31) PTPRCPTPN6PTPN11PTPN22SLC6A2
SCHEMBL25572299 0.75 PTPRC (0.33) PTPRCPTPN6PTPN11PTPN22CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-09-25 US disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (13 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 ALDH1A1 1034/4885HPGD 1402/4885ALOX15 3383/4885
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 ALDH1A1 4266/4885HPGD 1615/4885ALOX15 3726/4885
US-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885HPGD 4547/4885ALOX15 4520/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 ALDH1A1 3152/4885HPGD 2680/4885ALOX15 4198/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 ALDH1A1 4269/4885HPGD 713/4885ALOX15 3393/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 ALDH1A1 894/4885HPGD 507/4885ALOX15 1271/4885
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF ENPP1, ENPP2, ENPP3 ALDH1A1 4610/4885HPGD 2370/4885ALOX15 1552/4885
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR ALDH1A1 837/4885HPGD 973/4885ALOX15 3278/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885HPGD 1777/4885ALOX15 2143/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885HPGD 3374/4885ALOX15 818/4885
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 ALDH1A1 2665/4885HPGD 1340/4885ALOX15 693/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 ALDH1A1 3127/4885HPGD 615/4885ALOX15 3969/4885
US-20080234308-A2 Amino-Aza-Adamantane Derivatives and Methods of Use CHRNA7, CHRNA5, CHRNA1 ALDH1A1 1034/4885HPGD 1402/4885ALOX15 3383/4885

“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.