SCHEMBL7538657

SCHEMBL7538657

Cc1cc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
RPS6KA3 P51812 9/20 0.44
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC22A12 Q96S37 2/20 0.37
CYP17A1 P05093 1/20 0.37
DAPK3 O43293 1/20 0.36

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
SCHEMBL7109862 0.91 PTGS2 (0.46) PTGS2RPS6KA3PIK3CDPIK3CAPIK3CB
SCHEMBL7537735 0.90 RPS6KA3 (0.43) PTGS2RPS6KA3PIK3CDPIK3CAPIK3CB
SCHEMBL7114909 0.89 PTGS2 (0.49) PTGS2RPS6KA3PIK3CDPIK3CAPIK3CB
SCHEMBL7108675 0.89 PTGS2 (0.49) PTGS2RPS6KA3PIK3CDPIK3CAPIK3CB
SCHEMBL6728545 0.88 PTGS2 (0.47) PTGS2RPS6KA3PTGS1SLC22A12CYP17A1
SCHEMBL6729526 0.88 RPS6KA3 (0.47) PTGS2RPS6KA3PTGS1SLC22A12CYP17A1
SCHEMBL7541466 0.88 RPS6KA3 (0.48) PTGS2RPS6KA3SLC22A12
SCHEMBL7170268 0.88 PTGS2 (0.50) PTGS2RPS6KA3PIK3CDPIK3CAPIK3CB
SCHEMBL7115512 0.86 PTGS2 (0.52) PTGS2RPS6KA3PTGS1CYP17A1
SCHEMBL7114724 0.85 RPS6KA3 (0.46) PTGS2RPS6KA3SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252153-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-10-30 EP claimed
WO-2001049676-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-12 WO claimed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US 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 (1 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885RPS6KA3 1119/4885PIK3CD 4290/4885

“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.