SCHEMBL1016495

SCHEMBL1016495

O=C1NC(=O)C(Cc2ccc(OCCc3c[nH]c4ccccc34)cc2)S1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.55
PPARG P37231 11/20 0.54
CYP3A4 P08684 2/20 0.53
RXRA P19793 1/20 0.53
PPARA Q07869 2/20 0.52
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL14197265 0.86 PPARG (0.56) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL9312385 0.83 PPARG (0.59) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL19559777 0.82 FFAR1 (0.61) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL8932687 0.81 IDO1 (0.54) PPARGCYP3A4MEN1ALDH1A1TP53
SCHEMBL12515224 0.81 FFAR1 (0.69) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL6931578 0.80 FFAR1 (0.59) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL6511107 0.80 PPARG (0.46) FFAR1PPARGPPARAMAPT
SCHEMBL1072226 0.79 FFAR1 (0.77) FFAR1PPARGCYP3A4PPARAHRH3
SCHEMBL21504844 0.78 FFAR1 (0.59) FFAR1PPARGCYP3A4RXRAPPARA
SCHEMBL9570670 0.77 FFAR1 (0.71) FFAR1PPARGCYP3A4RXRAPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942898-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETES TAKEDA PHARMACEUTICAL (JP) 2011-11-09 EP claimed
EP-1942898-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-07-16 EP claimed
EP-1931350-A2 ADMINISTRATION OF DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-06-18 EP claimed
WO-2007033265-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETIS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-22 WO claimed
WO-2007033266-A2 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETIS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-22 WO claimed
WO-2007033350-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR TREATING DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-22 WO claimed
WO-2006034435-A2 METHODS AND COMPOSITIONS FOR TREATING GLUCOSE-ASSOCIATED CONDITIONS, METABOLIC SYNDROME, DYSLIPIDEMIAS AND OTHER CONDITIONS POINT THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
WO-2016100301-A1 USE OF CADHERIN-11 ANTAGONISTS TO TREAT OBESITY-ASSOCIATED CONDITIONS AND OTHER METABOLIC DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-06-23 WO disclosed
WO-2015134752-A1 COMPOSITIONS AND METHODS FOR TREATING HEART DISEASE AND/OR INJURY CASE WESTERN RESERVE UNIVERSITY (US) 2015-09-11 WO disclosed
US-20130122008-A1 Anti-IL 1- ß Antibody Combination Therapy NOVARTIS AG 2013-05-16 US disclosed
EP-2531501-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-12-12 EP disclosed
WO-2011097079-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-11 WO disclosed
EP-2346498-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES Metabolex Inc. (US) 2011-07-27 EP disclosed
WO-2003076393-A1 SALTS OF NATEGLINIDE NOVARTIS AG (CH) 2003-09-18 WO disclosed
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 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 (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-20130122008-A1 Anti-IL 1- ß Antibody Combination Therapy G6PC1, FBP1, GCKR FFAR1 152/4885PPARG 100/4885CYP3A4 2032/4885

“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.