SCHEMBL6729299

SCHEMBL6729299

Cc1cc(-c2noc(CO)c2-c2ccc(S(N)(=O)=O)c(F)c2)ccc1C#N

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.45
PTGS1 P23219 4/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
BRD4 O60885 2/20 0.38
CA4 P22748 2/20 0.38
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NSD2 O96028 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 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
SCHEMBL6730081 0.92 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA7
SCHEMBL7546157 0.91 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA7
SCHEMBL6732167 0.91 PTGS2 (0.39) PTGS2BRD4CYP11B1CYP11B2NSD2
SCHEMBL6741306 0.89 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA7
SCHEMBL6719265 0.89 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA7
SCHEMBL6719228 0.89 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA7
SCHEMBL6732494 0.89 PTGS2 (0.41) PTGS2PTGS1CA1CA2CA7
SCHEMBL6723064 0.88 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA7
SCHEMBL6725337 0.87 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7
SCHEMBL6721852 0.87 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA7

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 4/4885CA1 1851/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885CA1 2066/4885

“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.