SCHEMBL6722685

SCHEMBL6722685

Cc1ccc(-c2noc(C(F)(F)F)c2-c2ccc(S(N)(=O)=O)c(F)c2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.46
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA4 P22748 2/20 0.42
PTGS1 P23219 2/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
S1PR1 P21453 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KIF11 P52732 1/20 0.37
NOTUM Q6P988 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
SCHEMBL6719315 0.93 PTGS2 (0.48) PTGS2CA1CA2CA7CA4
SCHEMBL6730156 0.92 PTGS2 (0.46) PTGS2CA1CA2CA7CA4
SCHEMBL6719284 0.92 PTGS2 (0.47) PTGS2CA1CA2CA7CA4
SCHEMBL6718244 0.91 PTGS2 (0.52) PTGS2S1PR1ESR1ESR2KIF11
SCHEMBL6730473 0.91 BRD4 (0.50) PTGS2CA1CA2CA7CA4
SCHEMBL6726400 0.90 PTGS2 (0.46) PTGS2CA1CA2CA7CA4
SCHEMBL6718581 0.89 PTGS2 (0.47) PTGS2CA1CA2CA7CA4
SCHEMBL6721870 0.89 PTGS2 (0.45) PTGS2CA1CA2CA7CA4
SCHEMBL6732862 0.88 PTGS2 (0.47) PTGS2CA1CA2CA7CA4
SCHEMBL6734176 0.88 PTGS2 (0.42) PTGS2CA1CA2CA7CA4

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 5/4885CA1 2066/4885CA2 1993/4885

“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.