SCHEMBL16306237

SCHEMBL16306237

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(-c3ccc(OCc4ccccc4)cc3F)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 4/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
GPR132 Q9UNW8 5/20 0.39
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38
ERAP2 Q6P179 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
KLKB1 P03952 2/20 0.37
CMKLR2 P46091 1/20 0.37
CMKLR1 Q99788 1/20 0.37

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
SCHEMBL17834504 0.91 MME (0.41)
SCHEMBL17825401 0.90 MME (0.35)
SCHEMBL17834905 0.90 SDCBP (0.40)
SCHEMBL16305772 0.89 KLKB1 (0.36) GPR34KLKB1
SCHEMBL17825473 0.89 MCL1 (0.34) KLKB1
SCHEMBL22367910 0.89 MCL1 (0.34) KLKB1
SCHEMBL19485585 0.88 S1PR1 (0.38) GPR34S1PR1S1PR3GPR132NR1H2
SCHEMBL17834619 0.88 KLKB1 (0.39) GPR132KLKB1
SCHEMBL17834439 0.88 MMP12 (0.37) GPR132KLKB1
SCHEMBL16305884 0.88 KIFC1 (0.40) GPR34S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 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-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 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 (6 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 GPR34 115/4885S1PR1 486/4885S1PR3 529/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR34 115/4885S1PR1 486/4885S1PR3 529/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR34 115/4885S1PR1 486/4885S1PR3 529/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR34 115/4885S1PR1 486/4885S1PR3 529/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR GPR34 132/4885S1PR1 523/4885S1PR3 560/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR34 115/4885S1PR1 486/4885S1PR3 529/4885

“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.