SCHEMBL17834708

SCHEMBL17834708

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.47
CTSK P43235 6/20 0.47
TDP1 Q9NUW8 3/20 0.42
CTSB P07858 3/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CTSL P07711 1/20 0.36
MME P08473 1/20 0.36
REN P00797 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL22384089 1.00 CTSS (0.47) CTSSCTSKTDP1CTSBMAPT
SCHEMBL22384302 0.90 CTSS (0.47) CTSSCTSKTDP1MAPTPOLB
SCHEMBL17834705 0.90 CTSS (0.47) CTSSCTSKTDP1MAPTPOLB
SCHEMBL22167206 0.89 TDP1 (0.41) CTSSCTSKTDP1CTSBMAPT
SCHEMBL17459587 0.89 TDP1 (0.41) CTSSCTSKTDP1CTSBMAPT
SCHEMBL16305782 0.89 TDP1 (0.41) CTSSCTSKTDP1CTSBMAPT
SCHEMBL17459588 0.89 TDP1 (0.41) CTSSCTSKTDP1CTSBMAPT
SCHEMBL17968786 0.88 MME (0.47) CTSSCTSKCTSBMME
SCHEMBL22384088 0.85 CTSS (0.53) CTSSCTSKTDP1CTSBMAPT
SCHEMBL22756207 0.83 TDP1 (0.39) CTSSCTSKTDP1CTSBMAPT

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-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 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 (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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSS 3233/4885CTSK 3229/4885TDP1 3121/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CTSS 3233/4885CTSK 3229/4885TDP1 3121/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CTSS 3308/4885CTSK 3459/4885TDP1 3259/4885

“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.