SCHEMBL1828638

SCHEMBL1828638

Cc1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
TSHR P16473 4/20 0.50
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 2/20 0.46
HPGD P15428 1/20 0.45
VCAM1 P19320 6/20 0.44
ALDH1A1 P00352 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL274368 0.85 MCOLN3 (0.56) MAPTTSHRCYP3A4ALDH1A1CRHBP
SCHEMBL30430459 0.85 MCOLN3 (0.56) MAPTTSHRCYP3A4ALDH1A1CRHBP
SCHEMBL6516381 0.83 MAPT (0.53) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL3813276 0.82 VCAM1 (0.50) TSHRCYP3A4VCAM1ALDH1A1CA1
SCHEMBL11745901 0.81 TSHR (0.54) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL11745892 0.81 TSHR (0.54) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL27229106 0.80 MAPT (0.54) MAPTTSHRHSD17B10CYP3A4HPGD
SCHEMBL5925285 0.79 MMP1 (0.65) TSHRVCAM1CA1CA2MMP1
SCHEMBL17106 0.78 ATM (0.58) MAPTTSHRVCAM1ALDH1A1CA1
SCHEMBL9941832 0.78 VCAM1 (0.46) MAPTTSHRVCAM1CA1CA2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814373-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-10-05 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
CN-101133026-B 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE 2011-07-06 CN disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
CN-101133026-A 1- sulfonyl-pi perdine- 3 -carboxyl i c acid amide derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase for the treatment of type ii diabetes mellitus HOFFMANN LA ROCHE (CH) 2008-02-27 CN disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
CN-1930129-A N1- ((pyrazol-1-ylmethyl) -2-methylphenyl) -phthalamide derivative and related compound insecticide BAYER CROPSCIENCE AG (DE) 2007-03-14 CN disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed
EP-0384276-B1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AG (DE) 1993-11-10 EP disclosed
EP-0384276-A1 Water soluble azo compounds, method for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP 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 (6 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 MAPT 4016/4885TSHR 3407/4885HSD17B10 2773/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 MAPT 4020/4885TSHR 1924/4885HSD17B10 2256/4885
US-20230312539-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, KRAS MAPT 4269/4885TSHR 3846/4885HSD17B10 2996/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MAPT 3425/4885TSHR 1289/4885HSD17B10 4256/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 MAPT 4079/4885TSHR 2047/4885HSD17B10 2049/4885
US-11814373-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS MAPT 4269/4885TSHR 3846/4885HSD17B10 2996/4885

“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.