SCHEMBL1749528

SCHEMBL1749528

N#Cc1ccccc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.62
RXRB P28702 6/20 0.62
RXRG P48443 5/20 0.62
HPGD P15428 1/20 0.62
XDH P47989 2/20 0.58
LPAR1 Q92633 1/20 0.57
LPAR5 Q9H1C0 1/20 0.57
KMT2A Q03164 1/20 0.56
PTGER1 P34995 1/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56

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
SCHEMBL3648209 0.91 RXRA (0.60) RXRARXRBRXRGHPGDXDH
SCHEMBL23657704 0.87 PARP1 (0.65) RXRAXDH
SCHEMBL3642605 0.87 RXRA (0.50) RXRARXRBRXRGHPGDXDH
SCHEMBL3647437 0.85 RAB9A (0.60) RXRAHPGDKMT2A
SCHEMBL448079 0.84 MAOB (0.57) XDH
SCHEMBL5026568 0.84 XDH (0.71) HPGDXDH
SCHEMBL13881264 0.83 FFAR1 (0.50) XDHLPAR1LPAR5
SCHEMBL25216997 0.81 XDH (0.66) XDHKMT2APTGER1
SCHEMBL3080346 0.78
SCHEMBL13881445 0.78 SMN1; SMN2 (0.46) HPGDXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2010-12-09 US disclosed
EP-2188255-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS AstraZeneca AB (SE) 2010-05-26 EP disclosed
EP-1317419-B1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2009-04-22 EP disclosed
EP-1317419-B1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2009-04-22 EP disclosed
WO-2009027746-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS ASTRAZENECA AB (SE) 2009-03-05 WO disclosed
US-7390834-B2 Cyanophenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-06-24 US disclosed
US-7390834-B2 Cyanophenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-06-24 US disclosed
US-7390834-B2 Cyanophenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-06-24 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20060264356-A1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2006-11-23 US disclosed
US-7115663-B2 Cyanophenoxy carboxylic acid compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-10-03 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
EP-1317419-A4 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2005-09-28 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
US-20030199427-A1 Cyanophenoxy carboxylic acid compounds and compositions for delivering active agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-10-23 US disclosed
EP-1317419-A1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2003-06-11 EP disclosed
WO-2002020466-A1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2002-03-14 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 (5 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 RXRA 2157/4885RXRB 2226/4885RXRG 2148/4885
US-20060264356-A1 CYANOPHENOXY CARBOXYLIC ACID COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS CPS1, PCCA, OTC RXRA 1187/4885RXRB 1225/4885RXRG 884/4885
US-20030199427-A1 Cyanophenoxy carboxylic acid compounds and compositions for delivering active agents CPS1, PCCA, OTC RXRA 1187/4885RXRB 1225/4885RXRG 884/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 RXRA 1871/4885RXRB 1860/4885RXRG 1821/4885
US-20100311748-A1 HETEROCYCLIC AMIDES USEFUL FOR THE TREATMENT OF CANCER AND PSORIASIS SHH, GLI1, HRH4 RXRA 96/4885RXRB 118/4885RXRG 95/4885

“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.