SCHEMBL6730184

SCHEMBL6730184

N#Cc1cccc(C2=C(c3ccc(S(N)(=O)=O)c(F)c3)CCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.49
PTGS1 P23219 6/20 0.49
PTGES2 Q9H7Z7 2/20 0.44
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
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
PTGER1 P34995 2/20 0.38

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
SCHEMBL6718641 0.89 PTGS2 (0.56) PTGS2PTGS1PTGES2
SCHEMBL7048690 0.88 PTGS2 (0.50) PTGS2PTGS1ACLYGABRG2GABRB3
SCHEMBL6728016 0.87 PTGER1 (0.44) PTGS2PTGS1PTGES2ACLYGABRG2
SCHEMBL6728824 0.86 PTGS2 (0.47) PTGS2PTGS1PTGES2ACLYGABRG2
SCHEMBL6718766 0.83 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6730086 0.83 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6723561 0.83 PTGS2 (0.46) PTGS2PTGS1PTGES2
SCHEMBL6725449 0.81 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6719083 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6721428 0.81 PTGS2 (0.52) PTGS2PTGS1

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

“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.