SCHEMBL6725547

SCHEMBL6725547

CSc1ccc(-c2c(F)c(F)c(F)c(F)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 2/20 0.49
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPK14 Q16539 8/20 0.42
GCGR P47871 7/20 0.42
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41
ALOX5 P09917 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MATK P42679 1/20 0.41
FRK P42685 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL315215 0.82
SCHEMBL21905346 0.78 PTGS2 (0.38) PTGS1PTGS2ALDH1A1MAPK1MAPK14
SCHEMBL4159589 0.77 NPC1 (0.40) PTGS1PTGS2MAPK14L3MBTL1
SCHEMBL6721530 0.75 PTGS1 (0.59) PTGS1PTGS2ALDH1A1MAPK1MAPK14
SCHEMBL7833299 0.75 PTGS2 (0.47) PTGS1PTGS2MAPK14GCGRMAPK13
SCHEMBL6725855 0.73 PTGS1 (0.57) PTGS1PTGS2ALDH1A1MAPK1MAPK14
SCHEMBL23629580 0.73 KDM4E (0.45) PTGS1PTGS2ALDH1A1MAPK1
SCHEMBL6050625 0.72 PTGS2 (0.60) PTGS1PTGS2ALDH1A1MAPK1MAPK14
SCHEMBL8654831 0.72 PTGS2 (0.60) PTGS1PTGS2ALDH1A1MAPK1MAPK14
SCHEMBL10300271 0.71 ALDH1A1 (0.50) PTGS1PTGS2ALDH1A1

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 7 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
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US 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 379/4885ALDH1A1 241/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 PTGS1 292/4885PTGS2 379/4885ALDH1A1 241/4885

“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.