SCHEMBL2789352

SCHEMBL2789352

O=C1NC(=O)C(Cc2ccc(OCC3CN(c4ccc(C(F)(F)F)cc4)C(=O)O3)cc2)S1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.63
FFAR1 O14842 4/20 0.54
PPARG P37231 2/20 0.52
HRH3 Q9Y5N1 1/20 0.46
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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 0.92 FFAR1 (0.55) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL2786196 0.91 GRM2 (0.52) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL8941936 0.89 MAPT (0.56) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL8942114 0.89 GRM2 (0.53) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL2787185 0.88 GRM2 (0.52) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL2786403 0.88 GRM2 (0.61) GRM2FFAR1PPARGHRH3MEN1
SCHEMBL8941841 0.86 GRM2 (0.52) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL2786670 0.86 GRM2 (0.48) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL8941848 0.86 GRM2 (0.52) GRM2FFAR1PPARGHRH3PPARA
SCHEMBL8941874 0.83 GRM2 (0.54) GRM2FFAR1PPARGHRH3MEN1

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 26 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
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-0948324-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOUR CELL GROWTH DANA-FARBER CANCER INSTITUTE, INC. (US) 1999-10-13 EP disclosed
WO-1998025598-A9 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOUR CELL GROWTH 1998-11-26 WO disclosed
WO-1998025598-A2 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOUR CELL GROWTH DANA-FARBER CANCER INSTITUTE (US) 1998-06-18 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 2501/4885PPARG 245/4885
US-20020006950-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOR CELL GROWTH PPARD, PPARG, PPARA GRM2 2637/4885FFAR1 204/4885PPARG 2/4885

“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.