SCHEMBL6729940

SCHEMBL6729940

Cc1cc(-c2[nH]c(C(F)F)nc2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.41
TYK2 P29597 5/20 0.36
PTGS1 P23219 5/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP3A4 P08684 2/20 0.34
MAPK14 Q16539 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRAF P15056 1/20 0.34
KIT P10721 1/20 0.34
PARP1 P09874 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33

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
SCHEMBL6723009 0.92 PTGS2 (0.41) PTGS2TYK2PTGS1PIK3CDPIK3CA
SCHEMBL6723351 0.92 LMNA (0.42) PTGS2TYK2PTGS1PIK3CDPIK3CA
SCHEMBL6721430 0.90 TGFBR1 (0.41) PTGS2TYK2PTGS1PIK3CDPIK3CA
SCHEMBL6729929 0.90 PTGS2 (0.38) PTGS2TYK2PTGS1PIK3CDPIK3CA
SCHEMBL6729827 0.89 PIK3CD (0.38) PTGS2TYK2PTGS1PIK3CDPIK3CA
SCHEMBL6734141 0.88 PTGS2 (0.42) PTGS2TYK2PTGS1CYP3A4MAPK14
SCHEMBL6739821 0.88 PTGS2 (0.45) PTGS2TYK2PTGS1PARP1PARP3
SCHEMBL6722696 0.88 PIK3CD (0.36) PTGS2TYK2PTGS1PIK3CDPIK3CA
SCHEMBL6721907 0.87 PTGS2 (0.46) PTGS2TYK2PTGS1CYP3A4MAPK14
SCHEMBL6725893 0.87 PTGS1 (0.39) PTGS2TYK2PTGS1PIK3CDPIK3CA

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 5/4885TYK2 750/4885PTGS1 4/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885TYK2 662/4885PTGS1 4/4885

“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.