SCHEMBL4391253

SCHEMBL4391253

Cc1oc(-c2ccc3c(c2)OCO3)nc1COc1cccc(CSCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
PPARG P37231 15/20 0.52
PPARA Q07869 15/20 0.52
CYP2C9 P11712 5/20 0.52
KCNH2 Q12809 5/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4391416 0.92 MAPT (0.55) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4391409 0.92 PPARG (0.56) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL4389507 0.86 KDR (0.70) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4393141 0.85 ALDH1A1 (0.54) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL4396438 0.83 PPARG (0.66) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4392754 0.82 MAOB (0.52) CYP2C9ALDH1A1MAPTHPGDLMNA
SCHEMBL4392783 0.81 PPARG (0.60) PPARGPPARA
SCHEMBL14514131 0.81 CYP1A2 (0.56) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL4399081 0.80 PPARG (0.57) PPARGPPARA
SCHEMBL4393332 0.79 KDR (0.68) KDRPPARGPPARACYP2C9KCNH2

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
EP-1067109-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2009-12-09 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-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
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-11-10 US disclosed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US 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
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP 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-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD KDR 1714/4885PPARG 2/4885PPARA 1/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD KDR 1492/4885PPARG 2/4885PPARA 1/4885

“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.