SCHEMBL3771633

SCHEMBL3771633

Cc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c(Br)c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.80
GSK3B P49841 1/20 0.80
IGF1R P08069 1/20 0.65
DUSP3 P51452 1/20 0.63
BRAF P15056 6/20 0.60
SIRT2 Q8IXJ6 5/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
PIK3CG P48736 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
SCHEMBL5463774 0.92 GSK3A (0.68) GSK3AGSK3BIGF1RDUSP3BRAF
SCHEMBL5993464 0.91 GSK3A (0.67) GSK3AGSK3BIGF1RDUSP3BRAF
SCHEMBL12632706 0.86 GSK3A (0.61) GSK3AGSK3BIGF1RDUSP3BRAF
SCHEMBL5147292 0.83 PIK3CG (0.71) GSK3AGSK3BDUSP3BRAFSIRT2
SCHEMBL3907984 0.82 IGF1R (0.81) GSK3AGSK3BIGF1RDUSP3PIK3CG
SCHEMBL3907981 0.82 IGF1R (0.81) GSK3AGSK3BIGF1RDUSP3PIK3CG
SCHEMBL31358728 0.80 GSK3A (0.59) GSK3AGSK3BIGF1RDUSP3MEN1
SCHEMBL5997094 0.76 BRAF (1.00) GSK3AGSK3BIGF1RBRAFSIRT2
SCHEMBL6397299 0.75 BRAF (0.68) GSK3AGSK3BBRAFSIRT2SIRT1
SCHEMBL13587001 0.75 SIRT2 (0.80) GSK3AGSK3BIGF1RBRAFSIRT2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 GSK3A 3338/4885GSK3B 3324/4885IGF1R 610/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 GSK3A 3338/4885GSK3B 3324/4885IGF1R 610/4885

“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.