SCHEMBL17459571

SCHEMBL17459571

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CC(C(=O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 5/20 0.45
▸ S1PR1 P21453 5/20 0.45
▸ S1PR5 Q9H228 5/20 0.45
▸ S1PR3 Q99500 3/20 0.45
▸ PYGL P06737 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ PRCP P42785 1/20 0.36

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
SCHEMBL17459568 1.00 S1PR4 (0.45) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL16343488 0.86 PYGL (0.38) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL16295882 0.86 PYGL (0.38) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL22167407 0.86 S1PR4 (0.39) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL15018825 0.85 PTPN1 (0.47) ACE2L3MBTL1
SCHEMBL15018822 0.85 PTPN1 (0.47) ACE2L3MBTL1
SCHEMBL16305700 0.84 S1PR4 (0.39) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL16294995 0.83 S1PR5 (0.45) S1PR1S1PR5S1PR3ITGB3ITGA2B
SCHEMBL17834671 0.83 CCR1 (0.39) S1PR4S1PR1S1PR5S1PR3PYGL
SCHEMBL16343200 0.83 S1PR5 (0.45) S1PR1S1PR5S1PR3ITGB3ITGA2B

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
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
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 S1PR4 854/4885S1PR1 659/4885S1PR5 1059/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R S1PR4 854/4885S1PR1 659/4885S1PR5 1059/4885

“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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