SCHEMBL6721660

SCHEMBL6721660

CSc1ccc(-c2cc(F)c(F)cc2B(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 7/20 0.38
GCGR P47871 2/20 0.37
MAPK14 Q16539 2/20 0.37
ADORA3 P0DMS8 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL6725855 0.78 PTGS1 (0.57) PTGS1PTGS2GCGRMAPK14
SCHEMBL6728119 0.75 PTGS1 (0.42) PTGS1PTGS2GCGRMAPK14
SCHEMBL29398677 0.72 MCL1 (0.36) AKR1C3AKR1C2
SCHEMBL384929 0.72 MCL1 (0.36) AKR1C3AKR1C2
SCHEMBL6721662 0.71 ALOX5AP (0.40)
SCHEMBL6724532 0.71 PTGS2 (0.59) PTGS1PTGS2
SCHEMBL21993192 0.69 PTGS1 (0.51) PTGS1PTGS2GCGRMAPK14ADORA3
SCHEMBL6728444 0.69 PTGS2 (0.69) PTGS1PTGS2
SCHEMBL6606099 0.67 CA2 (0.54) PTGS2
SCHEMBL8985256 0.65 PTGS1 (0.70) PTGS1PTGS2MAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2004-08-12 US disclosed
US-6677488-B2 AS AN EXAMPLE, 4-(4,5-DIFLUORO-2-(3-CHLORO-4-FLUOROPHENYL) PHENYLBENZENESULFONAMIDE; ANTIARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; PROSTAGLANDIN INHIBITORS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2004-01-13 US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 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 (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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS1 292/4885PTGS2 379/4885GCGR 763/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS1 292/4885PTGS2 379/4885GCGR 763/4885

“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.