SCHEMBL6730868

SCHEMBL6730868

COc1ccc(-c2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.70
PTGS1 P23219 5/20 0.58
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
EDNRB P24530 1/20 0.50
EDNRA P25101 1/20 0.50

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
SCHEMBL6728742 0.92 PTGS2 (0.67) PTGS2PTGS1MEN1ALDH1A1MAPT
SCHEMBL6732299 0.88 PTGS2 (0.62) PTGS2PTGS1ALDH1A1MAPT
SCHEMBL6732213 0.87 PTGS2 (0.60) PTGS2PTGS1MEN1ALDH1A1MAPT
SCHEMBL6733347 0.85 PTGS2 (0.67) PTGS2PTGS1ALDH1A1MAPT
SCHEMBL6732669 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6728900 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6721671 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6725693 0.84 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL6724346 0.84 PTGS2 (0.78) PTGS2PTGS1ALDH1A1
SCHEMBL6726022 0.83 PTGS2 (0.62) PTGS2PTGS1MAPT

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 PTGS2 379/4885PTGS1 292/4885MEN1 4829/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS2 379/4885PTGS1 292/4885MEN1 4829/4885

“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.