SCHEMBL16305664

SCHEMBL16305664

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N4C[C@@H](O)C[C@@H]4C(=O)O)cc3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.42
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ITGB1 P05556 4/20 0.39
▸ ITGA4 P13612 4/20 0.39
▸ GCGR P47871 1/20 0.39
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ HRH2 P25021 2/20 0.38
▸ HRH1 P35367 2/20 0.38
▸ VHL P40337 1/20 0.38
▸ RARB P10826 3/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 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
SCHEMBL16305673 1.00 ACE (0.42) ACEPPARGPPARAITGB1ITGA4
SCHEMBL16305678 1.00 ACE (0.42) ACEPPARGPPARAITGB1ITGA4
SCHEMBL16305672 1.00 ACE (0.42) ACEPPARGPPARAITGB1ITGA4
SCHEMBL16305690 0.92 MCL1 (0.41) PPARGPPARAITGB1ITGA4GCGR
SCHEMBL16305927 0.92 MCL1 (0.40) PPARGPPARAITGB1ITGA4GCGR
SCHEMBL19544671 0.91 GCGR (0.39) PPARGPPARAITGB1ITGA4GCGR
SCHEMBL16305694 0.91 GCGR (0.39) PPARGPPARAITGB1ITGA4GCGR
SCHEMBL22384286 0.90 PPARG (0.39) PPARGPPARAITGB1ITGA4GCGR
SCHEMBL16305676 0.89 PPARG (0.42) ACEPPARGPPARAITGB1ITGA4
SCHEMBL16306117 0.89 ITGB1 (0.37) ACEITGB1ITGA4ITGB3ITGA2B

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 12 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-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — 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 (7 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 ACE 3137/4885PPARG 317/4885PPARA 491/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE 3137/4885PPARG 317/4885PPARA 491/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE 3137/4885PPARG 317/4885PPARA 491/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE 3137/4885PPARG 317/4885PPARA 491/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ACE 2924/4885PPARG 263/4885PPARA 417/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ACE 2924/4885PPARG 263/4885PPARA 417/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE 3137/4885PPARG 317/4885PPARA 491/4885

“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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