SCHEMBL2786403

SCHEMBL2786403

COc1ccc(N2CC(COc3ccc(CC4SC(=O)NC4=O)cc3)OC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.61
FFAR1 O14842 1/20 0.50
PPARG P37231 4/20 0.49
MPC2 O95563 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 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
HRH3 Q9Y5N1 1/20 0.48
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL8941936 0.91 MAPT (0.56) GRM2FFAR1PPARGMEN1ALDH1A1
SCHEMBL8942114 0.91 GRM2 (0.53) GRM2FFAR1PPARGMEN1ALDH1A1
SCHEMBL8941848 0.90 GRM2 (0.52) GRM2FFAR1PPARGMEN1ALDH1A1
SCHEMBL8941841 0.89 GRM2 (0.52) GRM2FFAR1PPARGMPC2CYP2C8
SCHEMBL2787185 0.89 GRM2 (0.52) GRM2FFAR1PPARGMEN1ALDH1A1
SCHEMBL2786196 0.88 GRM2 (0.52) GRM2FFAR1PPARGMEN1ALDH1A1
SCHEMBL2789352 0.88 GRM2 (0.63) GRM2FFAR1PPARGMEN1ALDH1A1
SCHEMBL8941874 0.88 GRM2 (0.54) GRM2FFAR1PPARGMPC2CYP2C8
SCHEMBL8942021 0.88 GRM2 (0.49) GRM2FFAR1PPARGMPC2CYP2C8
SCHEMBL2786670 0.87 GRM2 (0.48) GRM2FFAR1PPARGMEN1ALDH1A1

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 20 patents. 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-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-0948324-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING TUMOUR CELL GROWTH COMPRISING A PPAR-GAMMA AGONIST AND A MAP KINASE INHIBITOR DANA FARBER CANCER INST INC (US) 2003-11-12 EP disclosed
US-20030144330-A1 Methods and pharmaceutical compositions for inhibiting tumor cell growth SPIEGELMAN BRUCE M (US) 2003-07-31 US disclosed
US-6552055-B2 Peroxidsome proliferator activated receptors DANA-FARBER CANCER INSTITUTE 2003-04-22 US 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
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 (3 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-20030144330-A1 Methods and pharmaceutical compositions for inhibiting tumor cell growth PPARD, PPARG, PPARA GRM2 2637/4885FFAR1 204/4885PPARG 2/4885
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.