SCHEMBL933549

SCHEMBL933549

O=C(O)C(Oc1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.58
PPARA Q07869 10/20 0.58
LDHA P00338 1/20 0.54
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CNR1 P21554 2/20 0.43

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
SCHEMBL1565617 0.92 LDHA (0.63) PPARGPPARALDHAKMT2AMEN1
SCHEMBL934313 0.92 PPARG (0.61) PPARGPPARAKMT2AMEN1POLB
SCHEMBL11566109 0.87 PPARG (0.57) PPARGPPARAKMT2AMEN1POLB
SCHEMBL11752505 0.85 PPARG (0.67) PPARGPPARAKMT2AMEN1POLB
SCHEMBL21881525 0.85 PPARG (0.59) PPARGPPARAKMT2AMEN1POLB
SCHEMBL6005316 0.85 PPARG (0.59) PPARGPPARAKMT2AMEN1POLB
SCHEMBL14889080 0.85 PPARG (0.67) PPARGPPARAKMT2AMEN1POLB
SCHEMBL1566439 0.85 LDHA (0.55) PPARGPPARALDHAKMT2AMEN1
SCHEMBL2662172 0.84 LDHA (0.54) PPARGPPARALDHAKMT2AMEN1
SCHEMBL1565656 0.84 LDHA (0.54) PPARGPPARALDHAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088800-A1 2-(SUBSTITUTED) (ARYLMETHYL, ARYLOXY and ARYLTHIO))-N-(SUBSTITUTED PYRIDIN-2-YL)-2-(SUBSTITUTED ARYL) COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-3 (S1P3) RECEPTORS ALLERGAN, INC. (US) 2012-04-12 US disclosed
EP-2305648-A1 Amide derivatives useful as glucokinase activators Novo Nordisk A/S (DK) 2011-04-06 EP disclosed
WO-2011008475-A1 OPTIONALLY SUBSTITUTED 2-(ARYLMETHYL, ARYLOXY OR ARYLTHIO) -N- PYRIDIN-2 -YL-ARYL ACETAMIDE OR 2, 2-BIS (ARYL) -N-PYRIDIN-2-YL ACETAMIDE COMPOUNDS AS MEDICAMENTS FOR THE TREATMENT OF EYE DISEASES ALLERGAN, INC. (US) 2011-01-20 WO disclosed
EP-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030171411-A1 Amide derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2003-09-11 US disclosed
EP-1336607-A1 Amide derivatives as glucokinase activators NOVO NORDISK A/S (DK) 2003-08-20 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed
US-4053626-A CHOLESTEROL LEVEL-LOWERING PHENOXYACETIC ACIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-10-11 US disclosed
US-3992386-A 4(Quinolyl)phenoxy alkanoic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-11-16 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-20120088800-A1 2-(SUBSTITUTED) (ARYLMETHYL, ARYLOXY and ARYLTHIO))-N-(SUBSTITUTED PYRIDIN-2-YL)-2-(SUBSTITUTED ARYL) COMPOUNDS AS SUBTYPE-SELECTIVE MODULATORS OF SPHINGOSINE-1-PHOSPHATE-3 (S1P3) RECEPTORS S1PR3, S1PR5, S1PR1 PPARG 287/4885PPARA 369/4885LDHA 4679/4885
US-20030171411-A1 Amide derivatives as therapeutic agents GK, GCKR, GCK PPARG 75/4885PPARA 303/4885LDHA 565/4885

“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.