SCHEMBL1009896

SCHEMBL1009896

CC(C)(Oc1ccc(CCN)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.73
PPARG P37231 12/20 0.68
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
PPARD Q03181 7/20 0.56
ALDH1A1 P00352 1/20 0.54
FABP2 P12104 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADRB3 P13945 1/20 0.53

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
SCHEMBL4575444 0.90 PPARA (0.75) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL5794669 0.86 PPARG (0.72) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL3845467 0.85 PPARA (1.00) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL4575624 0.84 PPARA (0.53) PPARAPPARGCYP1A2CYP3A4MAPT
SCHEMBL4042833 0.83 PPARA (0.73) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL4575316 0.83 PPARA (0.51) PPARAPPARGCYP1A2CYP3A4PPARD
SCHEMBL2558984 0.82 PPARA (0.71) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL3839840 0.82 PPARA (1.00) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL3848011 0.81 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL1550078 0.81 PPARA (0.64) PPARAPPARGCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000751-A None JP disclosed
EP-1661890-B1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KOWA CO (JP) 2011-01-05 EP disclosed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
US-7183295-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2007-02-27 US disclosed
US-7109226-B2 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-09-19 US disclosed
US-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound KOWA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1661890-A1 PPAR-ACTIVATING COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Kowa Co., Ltd. (JP) 2006-05-31 EP disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 US disclosed
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 US disclosed
JP-H02751-A PREPARATION OF 2-(4-(2-(4-CHLOROBENZAMIDE)ETHYL) PHENOXY)-2-METHYL PROPIONIC ACID KRKA TOVARNA ZDRAVIL 1990-01-05 JP disclosed
EP-0004011-B1 PHENOXYALKYLCARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-04-01 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed
US-4153728-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS, ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1979-05-08 US disclosed
US-4151303-A Phenoxyalkylcarboxylic acid compounds and serum-lipid and triglyceride depressing therapeutic compositions BOEHRINGER MANNHEIM GMBH (DE) 1979-04-24 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 (1 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-20060189667-A1 PPAR-activating compound and pharmaceutical composition comprising the compound PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885MEN1 4768/4885

“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.