SCHEMBL4401993

SCHEMBL4401993

COC(=O)CSCc1cccc(OCCc2nc(-c3ccc(SC)cc3)oc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PPARG P37231 13/20 0.54
PPARA Q07869 13/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 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
SCHEMBL4394349 0.92 PPARG (0.59) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4389451 0.92 PPARG (0.57) PPARGPPARASMN1; SMN2MAPT
SCHEMBL4393918 0.91 PPARG (0.55) PPARGPPARASMN1; SMN2MAPT
SCHEMBL4398561 0.91 MAPT (0.59) PPARGPPARASMN1; SMN2MAPT
SCHEMBL4391194 0.91 PPARG (0.64) PPARGPPARA
SCHEMBL4398986 0.90 PPARG (0.54) ALDH1A1HPGDHSD17B10PPARGPPARA
SCHEMBL4389445 0.90 PPARG (0.60) HSD17B10PPARGPPARASMN1; SMN2MAPT
SCHEMBL4395955 0.90 PPARG (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL4394282 0.90 PPARG (0.51) PPARGPPARASMN1; SMN2MAPT
SCHEMBL4391400 0.90 PPARG (0.54) PPARGPPARASMN1; SMN2MAPT

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 14 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 claimed
US-20030153579-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2003-08-14 US claimed
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 claimed
EP-1067109-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
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-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 KDM4E 2786/4885ALDH1A1 258/4885HPGD 439/4885
US-20050250824-A1 Carboxylic acid derivative and a pharmaceutical composition containing the derivative as active ingredient PPARA, PPARG, PPARD KDM4E 2128/4885ALDH1A1 403/4885HPGD 409/4885

“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.