SCHEMBL17459587

SCHEMBL17459587

CC(NC(=O)[C@H](Cc1ccc(-c2ncc(Br)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
MAPT P10636 7/20 0.36
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 5/20 0.36
RECQL P46063 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSB P07858 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PAX8 Q06710 1/20 0.34
XBP1 P17861 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MME P08473 1/20 0.34
LY96 Q9Y6Y9 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL17459588 1.00 TDP1 (0.41) TDP1CTSSCTSKMAPTPOLB
SCHEMBL16305782 1.00 TDP1 (0.41) TDP1CTSSCTSKMAPTPOLB
SCHEMBL22167206 1.00 TDP1 (0.41) TDP1CTSSCTSKMAPTPOLB
SCHEMBL15037038 0.91 MAPT (0.43) TDP1MAPTPOLBNPSR1RECQL
SCHEMBL17825497 0.91 MAPT (0.43) TDP1MAPTPOLBNPSR1RECQL
SCHEMBL17825520 0.91 MAPT (0.43) TDP1MAPTPOLBNPSR1RECQL
SCHEMBL22756207 0.91 TDP1 (0.39) TDP1CTSSCTSKMAPTPOLB
SCHEMBL16305783 0.91 TDP1 (0.39) TDP1CTSSCTSKMAPTPOLB
SCHEMBL17459639 0.90 MME (0.41) CTSBMME
SCHEMBL16295098 0.90 MME (0.41) CTSBMME

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
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 EP disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 WO 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TDP1 3317/4885CTSS 4192/4885CTSK 4205/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R TDP1 3317/4885CTSS 4192/4885CTSK 4205/4885

“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.