SCHEMBL17834634

SCHEMBL17834634

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(-c5ccc(Cl)cc5)cc4F)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.40
MME P08473 10/20 0.35
S1PR1 P21453 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
MMEL1 Q495T6 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
DPP4 P27487 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL17834870 0.95 PYGL (0.38) PYGLMMES1PR1ITGB1ITGA5
SCHEMBL17834617 0.95 PYGL (0.41) PYGLMMES1PR1ITGB1ITGA5
SCHEMBL17995211 0.94 DPP4 (0.37) PYGLS1PR1ITGB1MC4RMC5R
SCHEMBL17834868 0.94 PYGL (0.37) PYGLMMES1PR1ITGB1ITGA5
SCHEMBL17834636 0.94 PYGL (0.35) PYGLMMES1PR1F10PLG
SCHEMBL17834639 0.94 S1PR1 (0.38) PYGLS1PR1DPP4
SCHEMBL17834419 0.94 S1PR1 (0.35) PYGLS1PR1ITGB1ITGA5F10
SCHEMBL17834633 0.94 F2 (0.35) PYGLMMES1PR1F2F10
SCHEMBL17834881 0.94 S1PR1 (0.35) PYGLS1PR1ITGB1ITGA5F10
SCHEMBL17834471 0.93 ITGB1 (0.36) PYGLITGB1ITGA5DPP4

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 5 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-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-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 PYGL 779/4885MME 796/4885S1PR1 486/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 779/4885MME 796/4885S1PR1 486/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PYGL 607/4885MME 919/4885S1PR1 523/4885

“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.