SCHEMBL2768059

SCHEMBL2768059

O=C(O)Cc1cccc(OCCCCl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.60
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
PPARD Q03181 2/20 0.51
NR1H3 Q13133 3/20 0.50
PTPN11 Q06124 1/20 0.49
LTB4R Q15722 1/20 0.48
FFAR1 O14842 2/20 0.47
NR1H2 P55055 2/20 0.47
PPARG P37231 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RXRA P19793 1/20 0.47
VHL P40337 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL2768937 0.94 PLA2G4B (0.56) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL30278807 0.92 PLA2G4B (0.64) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL30278815 0.92 PLA2G4B (0.68) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL25081989 0.92 PLA2G4B (0.64) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL25081990 0.92 PLA2G4B (0.68) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL25081987 0.90 PLA2G4B (0.71) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL25081988 0.90 PLA2G4B (0.71) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL30278806 0.90 PLA2G4B (0.71) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL25081993 0.90 PLA2G4B (0.71) PLA2G4BCYP4F2CYP4A11PPARDNR1H3
SCHEMBL30278812 0.90 PLA2G4B (0.71) PLA2G4BCYP4F2CYP4A11PPARDNR1H3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 EP disclosed
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 EP disclosed
EP-1751133-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-04-14 EP disclosed
US-7531556-B2 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
CN-101014597-A Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMA (US) 2007-08-08 CN disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
EP-1751133-A2 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-14 EP disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 US disclosed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 WO disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed
EP-1124810-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026202-A1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 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 (3 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-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH PLA2G4B 880/4885CYP4F2 4364/4885CYP4A11 4007/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL PLA2G4B 1482/4885CYP4F2 2611/4885CYP4A11 1285/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL PLA2G4B 1033/4885CYP4F2 2714/4885CYP4A11 743/4885

“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.