SCHEMBL2787183

SCHEMBL2787183

O=C1NC(Cc2ccc(OCCC3CN(c4ccc(C(F)(F)F)cc4)C(=O)O3)cc2)C(=O)S1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.52
FFAR1 O14842 2/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL2787182 0.83 FFAR1 (0.55) GRM2FFAR1
SCHEMBL2786432 0.79 GRM2 (0.37) GRM2FFAR1
SCHEMBL2789352 0.76 GRM2 (0.63) GRM2FFAR1
SCHEMBL8796969 0.69 FFAR1 (0.36) FFAR1KCNH2MCHR1PTPN1
SCHEMBL2826051 0.69 GRM2 (1.00) GRM2
SCHEMBL9803869 0.68 FFAR1 (0.42) FFAR1
SCHEMBL10467351 0.68 FFAR1 (0.42) FFAR1
SCHEMBL9326656 0.68 HRH3 (0.48) FFAR1
SCHEMBL7911563 0.67 HRH3 (0.42) FFAR1
SCHEMBL2786196 0.67 GRM2 (0.52) GRM2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20110300129-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2011-12-08 US disclosed
WO-2010075037-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2010-07-01 WO disclosed
US-7635708-B2 Methods and pharmaceutical compositions for inhibiting tumor cell growth DANA-FARBER CANCER INSTITUTE (US) 2009-12-22 US disclosed
US-20060019910-A1 Methods for treating and preventing insulin resistance and related disorders GREENBERG ANDREW S 2006-01-26 US disclosed
US-20050148536-A1 Methods for treating and preventing insulin resistance and related disorders GREENBERG ANDREW S (US) 2005-07-07 US disclosed
US-6897019-B1 Methods for treating and preventing insulin resistance and related disorders TRUSTEES OF TUFTS COLLEGE 2005-05-24 US disclosed
US-20040171533-A1 Methods and compositions for regulating adiopocytes CURIS, INC. 2004-09-02 US disclosed
EP-1410799-A1 Methods and pharmaceutical compositions for inhibiting tumour cell growth DANA-FARBER CANCER INSTITUTE (US) 2004-04-21 EP disclosed
EP-1071429-B1 MAP KINASE INHIBITORS IN THE TREATMENT OF DISORDERS CAUSED BY TNF-ALPHA INDUCED LIPOLYSIS TUFTS COLLEGE (US) 2002-01-30 EP disclosed
US-20020006950-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOR CELL GROWTH DANA-FARBER CANCER INSTITUTE 2002-01-17 US disclosed
WO-2001064238-A2 METHODS AND COMPOSITIONS FOR REGULATING ADIPOCYTES CURIS, INC. (US) 2001-09-07 WO disclosed
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 disclosed
US-6242196-B1 INHIBITING PROLIFERATION OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS-GAMMA RESPONSE HYPERPROLIFERATIVE CELL BY CONTACTING WITH AGONIST AND MITOGEN ACTIVATED PROTEIN KINASE INHIBITOR DANA-FARBER CANCER INSTITUTE 2001-06-05 US disclosed
EP-1071429-A1 MAP KINASE INHIBITORS IN THE TREATMENT OF DISORDERS CAUSED BY TNF-ALPHA INDUCED LIPOLYSIS TRUSTEES OF TUFTS COLLEGE (US) 2001-01-31 EP disclosed
WO-1999053927-A1 METHODS FOR TREATING AND PREVENTING INSULIN RESISTANCE AND RELATED DISORDERS TRUSTEES OF TUFTS COLLEGE (US) 1999-10-28 WO disclosed
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 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-20040171533-A1 Methods and compositions for regulating adiopocytes FABP4, APMAP, ADIPOR1 GRM2 2744/4885FFAR1 2501/4885KCNH2 4746/4885
US-20020006950-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOR CELL GROWTH PPARD, PPARG, PPARA GRM2 2637/4885FFAR1 204/4885KCNH2 4662/4885

“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.