SCHEMBL6726152

SCHEMBL6726152

CS(=O)(=O)c1ccc(-c2c(-c3cccc(C#N)c3)noc2CO)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.43
NR3C2 P08235 1/20 0.39
KCNK3 O14649 4/20 0.36
ALDH1A1 P00352 2/20 0.35
EPAS1 Q99814 2/20 0.35
USP7 Q93009 1/20 0.35
KCNN4 O15554 1/20 0.35
KCNA5 P22460 1/20 0.35
POLB P06746 1/20 0.35
ARNT P27540 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
BRD4 O60885 1/20 0.34
CNR2 P34972 1/20 0.34
PAX8 Q06710 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
SCHEMBL6722875 0.91 PTGS2 (0.43) PTGS2NR3C2KCNK3ALDH1A1EPAS1
SCHEMBL6721416 0.90 PTGS2 (0.50) PTGS2NR3C2USP7KCNN4KCNA5
SCHEMBL6729318 0.90 PTGS2 (0.43) PTGS2ALDH1A1BRD4
SCHEMBL6734977 0.88 PTGS2 (0.42) PTGS2NR3C2KCNK3ALDH1A1EPAS1
SCHEMBL6735001 0.88 PTGS2 (0.38) PTGS2NR3C2KCNK3ALDH1A1EPAS1
SCHEMBL6730378 0.87 PTGS2 (0.47) PTGS2ALDH1A1GABRA5BRD4
SCHEMBL6725376 0.86 PTGS2 (0.46) PTGS2ALDH1A1BRD4
SCHEMBL6729521 0.86 PTGS2 (0.46) PTGS2NR3C2ALDH1A1POLBGABRG2
SCHEMBL6733277 0.86 PTGS2 (0.58) PTGS2ALDH1A1BRD4
SCHEMBL6732167 0.85 PTGS2 (0.39) PTGS2ALDH1A1BRD4

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 5/4885NR3C2 463/4885KCNK3 3305/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885NR3C2 358/4885KCNK3 3144/4885

“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.