SCHEMBL3526019

SCHEMBL3526019

COC(=O)Cc1cccc(OCc2nc(-c3ccccc3)oc2C)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.73
PPARG P37231 13/20 0.60
PPARA Q07869 13/20 0.60
FFAR1 O14842 1/20 0.59
MAPT P10636 3/20 0.58
CYP2C9 P11712 2/20 0.56
KCNH2 Q12809 2/20 0.56
ESR1 P03372 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
VDR P11473 1/20 0.53
RXRA P19793 1/20 0.53
PPARD Q03181 1/20 0.53
ESR2 Q92731 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
SCHEMBL4034707 0.93 KDR (0.63) KDRPPARGPPARAFFAR1MAPT
SCHEMBL4033723 0.92 KDR (0.62) KDRPPARGPPARAFFAR1MAPT
SCHEMBL4030232 0.92 KDR (0.62) KDRPPARGPPARAFFAR1MAPT
SCHEMBL4029981 0.91 KDR (0.61) KDRPPARGPPARAFFAR1MAPT
SCHEMBL4036830 0.91 KDR (0.61) KDRPPARGPPARAFFAR1MAPT
SCHEMBL4397128 0.91 PPARG (0.68) KDRPPARGPPARA
SCHEMBL14514345 0.90 KDR (0.78) KDRPPARGPPARAFFAR1CYP2C9
SCHEMBL4029143 0.90 KDR (0.60) KDRPPARGPPARAFFAR1MAPT
SCHEMBL12617671 0.90 KDR (0.70) KDRPPARGPPARAFFAR1MAPT
SCHEMBL4397172 0.89 PPARG (0.64) KDRPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652061-B2 N-acyl nitrogen heterocycles as ligands of peroxisome proliferator-activated receptors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 EP disclosed
EP-1638963-B1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-7211591-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-01 US disclosed
US-20060135593-A1 N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors NOVARTIS AG (CH) 2006-06-22 US disclosed
US-7037914-B2 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-02 US disclosed
EP-1638963-A1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS Novartis AG (CH) 2006-03-29 EP disclosed
WO-2004103995-A1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2004-12-02 WO disclosed
US-6506757-B1 A peroxisome proliferator activated receptor regulator containing a carboxylic acid derivative, is useful as a hypoglycemic agent, a hypolipidemic agent, a preventive and/or a remedy for diseases associating metabolic disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2003-01-14 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-20060135593-A1 N-acyl nitrogen heterocyles as ligands of peroxisome proliferator-activated receptors PPARG, PPARA, PPARD KDR 838/4885PPARG 1/4885PPARA 2/4885

“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.