SCHEMBL2787459

SCHEMBL2787459

Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2S[N+]([O-])=NC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.44
PPARA Q07869 13/20 0.44
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 2/20 0.43
KCNH2 Q12809 2/20 0.43
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARD Q03181 3/20 0.40

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
SCHEMBL6037067 0.85 PPARG (0.57) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL7921252 0.82 PPARG (0.46) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL37497 0.81 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL20125582 0.81 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL9436449 0.81 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL243882 0.80 PPARG (0.44) PPARGPPARACYP2C9CYP3A4KCNH2
Darglitazone SCHEMBL674635 0.80 PPARG (0.48) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL13960286 0.80 KDM4E (0.55) PPARGPPARAFFAR1KDM4EPPARD
SCHEMBL1220163 0.79 PPARG (0.45) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL7927937 0.78 PPARG (0.46) PPARGPPARACYP2C9CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006794-B1 A METHOD FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE ESMOND ROBERT W (US) 2007-11-28 EP claimed
US-20060030597-A1 Method of inhibiting angiogenesis GERRITSEN MARY E 2006-02-09 US claimed
US-6552055-B2 Peroxidsome proliferator activated receptors DANA-FARBER CANCER INSTITUTE 2003-04-22 US claimed
US-20020106796-A1 PAX8-PPARgamma nucleic acid molecules and polypeptides and uses thereof BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2002-08-08 US claimed
EP-1143953-A3 METHOD OF INHIBITING ANGIOGENESIS Genentech, Inc. (US) 2002-02-06 EP claimed
US-20010036955-A1 Method of inhibiting angiogenesis GENENTECH, INC. 2001-11-01 US claimed
EP-1143953-A2 METHOD OF INHIBITING ANGIOGENESIS Genentech, Inc. (US) 2001-10-17 EP claimed
WO-2001052789-A2 PAX8-PPARη NUCLEIC ACID MOLECULES AND POLYPEPTIDES AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-07-26 WO claimed
US-6207690-B1 TREATING TUMOR BY ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF TRIGLITAZONE COMPOUND BOARD OF REGENTS, THE UNIVERSITY TEXAS SYSTEM 2001-03-27 US claimed
WO-2000030628-A2 METHOD OF INHIBITING ANGIOGENESIS GENENTECH, INC. (US) 2000-06-02 WO claimed
EP-0719140-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM Sankyo Company Limited (JP) 1996-07-03 EP claimed
WO-1995007694-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM SANKYO COMPANY, LIMITED (JP) 1995-03-23 WO claimed
US-20110300129-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2011-12-08 US disclosed
EP-1637138-B1 Use of thiazolidinediones to prevent or delay onset of NIDDM DAIICHI SANKYO CO LTD (JP) 2010-12-01 EP disclosed
EP-1133294-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ALZHEIMER'S DISEASE, CENTRAL NERVOUS SYSTEM INJURY, AND INFLAMMATORY DISEASES UNIV CASE WESTERN RESERVE (US) 2010-08-25 EP disclosed
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 WO disclosed
WO-1998025598-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOUR CELL GROWTH DANA-FARBER CANCER INSTITUTE (US) 1998-06-18 WO disclosed
EP-0719140-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM Sankyo Company Limited (JP) 1996-07-03 EP disclosed
US-5478852-A Administering SANKYO COMPANY, LIMITED (JP) 1995-12-26 US disclosed
WO-1995007694-A1 USE OF THIAZOLIDINEDIONES TO PREVENT OR DELAY ONSET OF NIDDM SANKYO COMPANY, LIMITED (JP) 1995-03-23 WO 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-20060030597-A1 Method of inhibiting angiogenesis PPARG, PPARA, RXRG PPARG 1/4885PPARA 2/4885CYP2C9 3952/4885
US-20010036955-A1 Method of inhibiting angiogenesis PPARG, PPARA, RXRG PPARG 1/4885PPARA 2/4885CYP2C9 3952/4885

“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.