SCHEMBL17459574

SCHEMBL17459574

CCc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.38
▸ S1PR1 P21453 4/20 0.37
▸ S1PR5 Q9H228 3/20 0.37
▸ S1PR4 O95977 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ITGA4 P13612 4/20 0.36
▸ ITGB7 P26010 4/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ ITGB1 P05556 2/20 0.35
▸ PSMB11 A5LHX3 1/20 0.34
▸ PSMA7 O14818 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMA1 P25786 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
SCHEMBL17459576 1.00 PYGL (0.38) PYGLS1PR1S1PR5S1PR4S1PR3
SCHEMBL17468600 0.89 FPR2 (0.34) NPC1TP53HPGDTSHRRAB9A
SCHEMBL22167308 0.89 FPR2 (0.34) NPC1TP53HPGDTSHRRAB9A
SCHEMBL16343488 0.88 PYGL (0.38) PYGLS1PR1S1PR5S1PR4S1PR3
SCHEMBL16295882 0.88 PYGL (0.38) PYGLS1PR1S1PR5S1PR4S1PR3
SCHEMBL17459538 0.86 ITGA4 (0.42) NPC1ITGA4ITGB7ITGB1ACE2
SCHEMBL17459539 0.86 ITGA4 (0.42) NPC1ITGA4ITGB7ITGB1ACE2
SCHEMBL17834896 0.85 S1PR1 (0.39) S1PR1S1PR5S1PR4S1PR3ITGB1
SCHEMBL17834481 0.85 S1PR5 (0.43) S1PR1S1PR5S1PR3ITGA4ITGB1
SCHEMBL17834860 0.85 S1PR1 (0.36) PYGLS1PR1S1PR5S1PR4S1PR3

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 15 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-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-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-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
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 PYGL 376/4885S1PR1 659/4885S1PR5 1059/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 376/4885S1PR1 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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