SCHEMBL6729410

SCHEMBL6729410

CS(=O)(=O)c1ccc(C2=C(c3cccc(OC(F)(F)F)c3)C(=O)OC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 7/20 0.52
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MT-CO2 P00403 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MC4R P32245 1/20 0.43
CYP19A1 P11511 1/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39

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
SCHEMBL6725959 0.90 PTGS1 (0.52) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6721446 0.90 PTGS2 (0.44) PTGS2PTGS1CYP19A1PIM1PIM2
SCHEMBL6738831 0.87 PTGS2 (0.51) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732867 0.87 PTGS2 (0.45) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6720115 0.84 PTGS2 (0.51) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6725700 0.84 PTGS2 (0.51) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6723350 0.84 PTGS2 (0.55) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7546443 0.84 PTGS2 (0.48) PTGS2PTGS1PIM1PIM2
SCHEMBL6726009 0.83 PTGS1 (0.72) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6723287 0.82 PTGS2 (0.58) PTGS2PTGS1ABCB11ALDH1A1MT-CO2

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 4/4885ABCB11 2898/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ABCB11 2983/4885

“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.