SCHEMBL3277692

SCHEMBL3277692

Cc1ccc(S(=O)(=O)Nc2cc[c]cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
ALDH1A1 P00352 8/20 0.65
MAPT P10636 7/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
GFER P55789 1/20 0.60
MCL1 Q07820 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALOX12 P18054 1/20 0.60
HPGD P15428 1/20 0.58
FFAR1 O14842 1/20 0.55
HTT P42858 2/20 0.54
HSD17B10 Q99714 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53

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
SCHEMBL482662 0.93 CA12 (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL2005010 0.86 CA12 (0.81) CA12CA1CA2CA9ALDH1A1
Water SCHEMBL3944291 0.83 CA12 (0.96) CA12CA1CA2CA9ALDH1A1
SCHEMBL3706636 0.81 CA1 (0.64) CA1CA2ALDH1A1MAPTLMNA
SCHEMBL5046808 0.81 HSD17B2 (0.53) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL4142277 0.81 CES1 (0.75) CA12CA1CA2CA9ALDH1A1
SCHEMBL10528973 0.81 KMT2A (0.68) CA1CA2CA9ALDH1A1MAPT
SCHEMBL28350553 0.81 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL322990 0.81 CA12 (1.00) CA12CA1CA2CA9ALDH1A1
SCHEMBL194421 0.81 KEAP1 (0.73) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US claimed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP claimed
EP-2252617-A1 6-ARYL-IMIDAZ0[L, 2-A]PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2010-11-24 EP claimed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO claimed
US-20090221612-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF Kronos Bio, Inc. 2009-09-03 US claimed
WO-2009102468-A1 6-ARYL-IMIDAZ0[L, 2-A] PYRAZINE DERIVATIVES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
CN-116535286-A Gem-difluoro cyclopentene compound and preparation method thereof 四川大学 2023-08-04 CN disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
US-6147083-A NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. ZENECA LIMITED (GB) 2000-11-14 US disclosed
US-6127378-A A PHOSPHODIESTERASE ENZYME INHIBITOR AS BRONCHIAL THERAPEUTICS, AN ANTIINFLAMMATORY AGENT TREATING ASTHMA PROPHYLAXIS, SKIN DISORDERS, INTESTINE DISORDERS, EYE DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, JOINTS DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-10-03 US disclosed
US-5998444-A ANTIASTHMA AGENTS; NEUROKININ ANTAGONIST ZENECA LTD. (GB) 1999-12-07 US disclosed
EP-0889886-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-01-13 EP disclosed
US-5710169-A NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA ZENECA LIMITED (GB) 1998-01-20 US disclosed
WO-1997035854-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-10-02 WO disclosed
EP-0709375-A2 Therapeutic heterocycles ZENECA LIMITED (GB) 1996-05-01 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 (7 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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR CA12 4882/4885CA1 4851/4885CA2 4068/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 CA12 4586/4885CA1 4666/4885CA2 4225/4885
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 CA12 4816/4885CA1 4862/4885CA2 4671/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 CA12 4816/4885CA1 4862/4885CA2 4671/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 CA12 4191/4885CA1 4516/4885CA2 3811/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 CA12 4191/4885CA1 4516/4885CA2 3811/4885
US-20090221612-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF SYK, MYD88, BTK CA12 1546/4885CA1 862/4885CA2 982/4885

“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.