SCHEMBL8213015

SCHEMBL8213015

Cc1ccc(-c2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.88
PTPN1 P18031 5/20 0.68
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL227355 0.94 GSK3B (1.00) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL689331 0.89 GSK3B (0.83) GSK3BPTPN1RAB9AALDH1A1LMNA
Methylsulfanylmethane SCHEMBL28782225 0.88 GSK3B (0.88) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL18209648 0.83 GSK3B (0.68) GSK3BPTPN1KMT2AMMP2MMP9
SCHEMBL205280 0.82 GSK3B (0.80) GSK3BPTPN1NPC1RAB9A
SCHEMBL5308744 0.81 GSK3B (0.59) GSK3BPTPN1ALDH1A1CES2CES1
SCHEMBL316871 0.81 GSK3B (1.00) GSK3BPTPN1RAB9AALDH1A1LMNA
SCHEMBL22004470 0.81 GSK3B (1.00) GSK3BPTPN1RAB9AALDH1A1LMNA
SCHEMBL2633141 0.81 SMN1; SMN2 (0.70) GSK3BNPC1RAB9AKMT2AMEN1
SCHEMBL973263 0.81 GSK3B (0.87) GSK3BPTPN1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 US disclosed
EP-2713722-B1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC (US) 2017-03-15 EP disclosed
US-20160310471-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC 2016-10-27 US disclosed
US-9278910-B2 GLP-1 receptor stabilizers and modulators RECEPTOS, INC. (US) 2016-03-08 US disclosed
US-20140336185-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC 2014-11-13 US disclosed
WO-2012166951-A9 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS, INC. (US) 2013-02-21 WO disclosed
WO-2012166951-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS, INC. (US) 2012-12-06 WO disclosed
EP-1031349-A1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives for the treatment of cerebral diseases Bayer Aktiengesellschaft (DE) 2000-08-30 EP disclosed
US-4536517-A ANTIDIABETIC, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-20 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-20140336185-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS GLP1R, GIPR, GHSR GSK3B 1614/4885PTPN1 426/4885NPC1 3413/4885
US-20160310471-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS GLP1R, GIPR, GHSR GSK3B 1614/4885PTPN1 426/4885NPC1 3413/4885

“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.