SCHEMBL1780727

SCHEMBL1780727

Cc1ccc(S(=O)(=O)n2ccc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.74
PPARG P37231 4/20 0.62
FABP4 P15090 2/20 0.55
HDAC1 Q13547 5/20 0.54
HDAC6 Q9UBN7 4/20 0.54
HTR6 P50406 7/20 0.53
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
CPT2 P23786 1/20 0.51
CPT1A P50416 1/20 0.51
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL8652798 0.89 CPT1A (0.63) RAPGEF4PPARGFABP4HTR6PPARD
SCHEMBL20488722 0.89 RAPGEF4 (0.60) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL27819639 0.88 RAPGEF4 (0.58) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL2509437 0.87 RAPGEF4 (0.67) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL8116244 0.86 PPARG (0.61) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL1778140 0.86 HDAC1 (0.60) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL28614178 0.86 RAPGEF4 (0.56) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL15175353 0.85 RAPGEF4 (1.00) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL1894102 0.84 HTR6 (0.61) RAPGEF4PPARGFABP4HDAC1HDAC6
SCHEMBL29336891 0.84 HTR6 (0.55) RAPGEF4PPARGFABP4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 RAPGEF4 1076/4885PPARG 3723/4885FABP4 4774/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 RAPGEF4 2835/4885PPARG 1688/4885FABP4 2224/4885

“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.