SCHEMBL474271

SCHEMBL474271

O=C(c1ccccc1)S(=O)(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.48
ALDH1A1 P00352 5/20 0.48
CES2 O00748 5/20 0.48
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MAPK1 P28482 3/20 0.44
TRPA1 O75762 1/20 0.44
GSK3B P49841 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 5/20 0.44
HSD17B10 Q99714 4/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL29240939 0.83 L3MBTL1 (0.44) CES1ALDH1A1CES2TSHRDAO
SCHEMBL27552924 0.79 CES1 (0.52) CES1ALDH1A1CES2TSHRDAO
SCHEMBL28913988 0.78 ALDH1A1 (0.43) CES1ALDH1A1CES2TSHRNAPRT
SCHEMBL29171473 0.78 LMNA (0.50) CES2MAPK1HIF1AMAPTCYP3A4
Benzophenone SCHEMBL11550529 0.77 ALDH1A1 (0.74) CES1ALDH1A1CES2TSHRDAO
SCHEMBL6844400 0.77 CES1 (0.50) CES1ALDH1A1CES2TSHRDAO
SCHEMBL1728427 0.77 CES1 (0.50) CES1ALDH1A1CES2TSHRDAO
SCHEMBL9357017 0.77 ALDH1A1 (0.46) CES1ALDH1A1CES2TSHRDAO
Benzoic Acid SCHEMBL6130967 0.77 TSHR (0.74) CES1ALDH1A1CES2TSHRDAO
SCHEMBL9755055 0.77 ALDH1A1 (0.46) CES1ALDH1A1CES2TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
CN-101511359-B Benzotriazole kinase modulators HOFFMANN LA ROCHE 2012-09-05 CN disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
CN-101511359-A Benzotriazole kinase modulators HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO disclosed
WO-2002076951-A1 2-MERCAPTO-4,5-DIARYLIMIDAZOLE DERIVATIVES AND THE USE THEREOF AS CYCLOOXYGENASE INHIBITORS BEIERSDORF AG (DE) 2002-10-03 WO disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
CN-1186514-A Process for controlling sialylation of protein produced by mammalian cell culture GENENTECH INC (US) 1998-07-01 CN disclosed
EP-0271780-A2 Substituted 1-benzylsulfonyl-3-heteroaryl(thio) urea BAYER AG (DE) 1988-06-22 EP disclosed
US-4709047-A CATALYSTS FOR CROSSLINKING OF UNSATURATED IMIDES CIBA-GEIGY CORPORATION (US) 1987-11-24 US disclosed
EP-0001797-B1 PROCESS FOR THE ISOLATION OF CEPHALOSPORIN C, ITS SALTS AND ITS DERIVATIVES, FROM CULTURE MEDIA AND SOLUTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-17 EP disclosed
US-4204058-A Process for obtaining cephalosporin C and the salts and derivatives thereof from culture filtrates or culture solutions HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
EP-0001797-A1 Process for the isolation of cephalosporin C, its salts and its derivatives, from culture media and solutions HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-16 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CES1 3579/4885ALDH1A1 2989/4885CES2 4072/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD CES1 1327/4885ALDH1A1 1612/4885CES2 2984/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 CES1 3556/4885ALDH1A1 2630/4885CES2 3771/4885

“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.