SCHEMBL6722607

SCHEMBL6722607

Cc1cc(-c2noc(C(F)(F)F)c2-c2ccc(S(N)(=O)=O)c(F)c2)ccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PTGS1 P23219 4/20 0.39
CA4 P22748 2/20 0.38
GRM2 Q14416 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
SCN5A Q14524 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
FFAR4 Q5NUL3 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
SCHEMBL6725525 0.92 PTGS2 (0.43) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6722681 0.91 PTGS2 (0.48) PTGS2GRM2SCN5AESR1ESR2
SCHEMBL6725953 0.90 PTGS2 (0.46) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6732907 0.89 PTGS2 (0.43) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6729938 0.89 PTGS2 (0.39) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6718581 0.88 PTGS2 (0.47) PTGS2PTGS1CA4CA1CA2
SCHEMBL6719284 0.88 PTGS2 (0.47) PTGS2PTGS1CA4CA1CA2
SCHEMBL6719315 0.87 PTGS2 (0.48) PTGS2PTGS1CA4CA1CA2
SCHEMBL6718378 0.87 PTGS2 (0.44) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6723487 0.87 CA4 (0.39) PTGS2PTGS1CA4GRM2CA1

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 2 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
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US 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 5/4885PTGS1 4/4885CA4 3185/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885CA4 3243/4885

“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.