SCHEMBL17532307

SCHEMBL17532307

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(C4CCC(C(C)(C)C)CC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ PRCP P42785 1/20 0.33
▸ S1PR1 P21453 6/20 0.33
▸ S1PR5 Q9H228 6/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ S1PR4 O95977 5/20 0.32
▸ S1PR3 Q99500 3/20 0.32
▸ HPGDS O60760 1/20 0.32
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ CCR1 P32246 1/20 0.31

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
SCHEMBL17995219 0.96 S1PR1 (0.34) PYGLMAPK1PRCPS1PR1S1PR5
SCHEMBL17834485 0.96 S1PR1 (0.34) PYGLMAPK1PRCPS1PR1S1PR5
SCHEMBL19485634 0.96 S1PR1 (0.34) PYGLMAPK1PRCPS1PR1S1PR5
SCHEMBL22167263 0.93 S1PR4 (0.38) PYGLMAPK1PRCPS1PR1S1PR5
SCHEMBL17834733 0.90 S1PR1 (0.34) PYGLPRCPS1PR1S1PR5S1PR4
SCHEMBL19481406 0.90 S1PR1 (0.34) PYGLPRCPS1PR1S1PR5S1PR4
SCHEMBL17834731 0.90 S1PR1 (0.34) PYGLPRCPS1PR1S1PR5S1PR4
SCHEMBL17532372 0.90 F2 (0.34) PYGLMAPK1PRCPS1PR1S1PR5
SCHEMBL17834844 0.89 S1PR1 (0.35) PYGLMAPK1PRCPS1PR1S1PR5
SCHEMBL17834841 0.89 S1PR1 (0.35) PYGLMAPK1PRCPS1PR1S1PR5

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
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-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
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US 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
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885MAPK1 683/4885PRCP 926/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885MAPK1 683/4885PRCP 926/4885

“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.

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