SCHEMBL6729971

SCHEMBL6729971

CS(=O)(=O)c1ccc(-c2c(-c3cc(F)cc(F)c3)noc2CO)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PTGS1 P23219 1/20 0.36
PDE3A Q14432 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6729781 0.92 PTGS2 (0.47) PTGS2BRD4ALDH1A1PTGS1PDE3A
SCHEMBL6730378 0.90 PTGS2 (0.47) PTGS2BRD4ALDH1A1PTGS1
SCHEMBL6729941 0.90 PTGS2 (0.43) PTGS2BRD4PIK3CDPIK3CAPIK3CB
SCHEMBL6729415 0.90 BRD4 (0.44) PTGS2BRD4ALDH1A1PIK3CDPIK3CA
SCHEMBL6721675 0.90 PTGS2 (0.43) PTGS2BRD4ALDH1A1PIK3CDPIK3CA
SCHEMBL6726006 0.90 PTGS2 (0.45) PTGS2ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL6729979 0.90 PTGS2 (0.45) PTGS2BRD4ALDH1A1PIK3CDPIK3CA
SCHEMBL6726587 0.89 PTGS2 (0.42) PTGS2BRD4ALDH1A1PIK3CDPIK3CA
SCHEMBL6721401 0.89 PTGS2 (0.52) PTGS2BRD4ALDH1A1PTGS1
SCHEMBL6733277 0.89 PTGS2 (0.58) PTGS2BRD4ALDH1A1PTGS1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885BRD4 384/4885ALDH1A1 263/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885BRD4 340/4885ALDH1A1 298/4885

“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.