SCHEMBL1778140

SCHEMBL1778140

COC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.60
HDAC6 Q9UBN7 6/20 0.60
PPARG P37231 2/20 0.59
RAPGEF4 Q8WZA2 1/20 0.56
HDAC3 O15379 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HTR6 P50406 3/20 0.53
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 2/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CYP2C9 P11712 3/20 0.49
FBP1 P09467 1/20 0.49
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL30955477 0.90 CPT1A (0.54) HDAC1HDAC6PPARGHTR6CYP2C9
SCHEMBL9372377 0.90 CPT1A (0.54) HDAC1HDAC6PPARGHTR6CYP2C9
SCHEMBL31279908 0.89 HTR6 (0.64) HDAC1HDAC6PPARGRAPGEF4HDAC3
SCHEMBL2509440 0.89 HTR6 (0.64) HDAC1HDAC6PPARGRAPGEF4HDAC3
SCHEMBL15188844 0.86 RAPGEF4 (0.76) HDAC1HDAC6PPARGRAPGEF4HDAC3
SCHEMBL1780727 0.86 RAPGEF4 (0.74) HDAC1HDAC6PPARGRAPGEF4HDAC3
SCHEMBL20488722 0.86 RAPGEF4 (0.60) HDAC1HDAC6PPARGRAPGEF4HDAC3
SCHEMBL27819639 0.85 RAPGEF4 (0.58) HDAC1HDAC6PPARGRAPGEF4HDAC3
SCHEMBL31159433 0.84 HDAC1 (0.79) HDAC1HDAC6PPARGHDAC3HDAC8
SCHEMBL8116244 0.82 PPARG (0.61) HDAC1HDAC6PPARGRAPGEF4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN disclosed
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
US-10966961-B2 Pyrazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-04-06 US disclosed
US-10966961-B2 Pyrazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-04-06 US disclosed
CN-110582485-A Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2019-12-17 CN disclosed
WO-2018158212-A1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-07 WO disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed
EP-0290145-B1 Aliphatic carboxamides ICI AMERICA INC (US) 1994-10-26 EP disclosed
US-4894386-A ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1990-01-16 US disclosed
EP-0290145-A1 Aliphatic carboxamides ZENECA INC. (US) 1988-11-09 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-10966961-B2 Pyrazole derivatives as bromodomain inhibitors BRD3, BRD4, BRPF3 HDAC1 16/4885HDAC6 22/4885PPARG 27/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 HDAC1 84/4885HDAC6 302/4885PPARG 3723/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 HDAC1 946/4885HDAC6 979/4885PPARG 1688/4885

“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.