SCHEMBL7048690

SCHEMBL7048690

CS(=O)(=O)c1ccc(C2=C(c3cccc(C#N)c3)CCC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.50
PTGS1 P23219 3/20 0.41
ACLY P53396 2/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
EPAS1 Q99814 2/20 0.39
ARNT P27540 1/20 0.39
PTGER1 P34995 2/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL7157401 0.89 PTGS2 (0.64) PTGS2PTGS1F10
SCHEMBL6730184 0.88 PTGS2 (0.49) PTGS2PTGS1ACLYGABRG2GABRB3
SCHEMBL7046074 0.83 PTGS2 (0.55) PTGS2PTGS1PTGER1
SCHEMBL7048545 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6726525 0.83 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7048728 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7045549 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL7042617 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7169766 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL7537314 0.81 PTGS2 (0.49) PTGS2PTGS1EPAS1

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-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 (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 5/4885PTGS1 4/4885ACLY 2663/4885

“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.