SCHEMBL6726431

SCHEMBL6726431

CN(C)c1ccc(B(O)O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 4/20 0.50
ENPP2 Q13822 2/20 0.41
FSCN1 Q16658 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 4/20 0.37
PTGS1 P23219 3/20 0.37
CA2 P00918 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL1138696 0.80 TTR (0.36) TTRFSCN1GAAKMT2APTGS2
SCHEMBL29954610 0.78 CA2 (0.43) TTRENPP2CA2LPLLIPG
SCHEMBL1744338 0.78 CA2 (0.43) TTRENPP2CA2LPLLIPG
SCHEMBL3790999 0.76 GAA (0.52) TTRENPP2GAAKMT2ACA2
SCHEMBL130450 0.73 TTR (0.61) TTRENPP2CA2CA1
SCHEMBL177454 0.72 TTR (0.55) TTRENPP2CA2LPLLIPG
SCHEMBL31468433 0.72 TTR (0.55) TTRENPP2CA2LPLLIPG
SCHEMBL3786524 0.72 ENPP2 (0.41) TTRENPP2GAAKMT2ACA2
SCHEMBL21382152 0.72 ENPP2 (0.37) TTRENPP2CA2LPLLIPG
SCHEMBL30643101 0.72 TTR (0.46) TTRENPP2GAAKMT2A

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 TTR 494/4885ENPP2 968/4885FSCN1 4674/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 TTR 494/4885ENPP2 968/4885FSCN1 4674/4885

“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.