SCHEMBL16306134

SCHEMBL16306134

CC(C)(C)COc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N4CC(C(=O)O)C4)cc3)nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.34
▸ ITGB1 P05556 3/20 0.34
▸ ITGA5 P08648 2/20 0.34
▸ HRH2 P25021 5/20 0.34
▸ HRH1 P35367 5/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ PRCP P42785 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ KLKB1 P03952 2/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ MAP4K4 O95819 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
SCHEMBL16305724 0.94 PRCP (0.36) HRH2HRH1PRCPITGB3ITGA2B
SCHEMBL16305729 0.93 ITGB1 (0.36) PYGLITGB1ITGA5HRH2HRH1
SCHEMBL16305996 0.93 S1PR1 (0.40) ITGB1ITGA5HRH2HRH1S1PR1
SCHEMBL16305702 0.93 ITGA4 (0.39) PYGLITGB1ITGA4ITGB7
SCHEMBL16306185 0.92 ITGB1 (0.37) PYGLITGB1ITGA5HRH2HRH1
SCHEMBL16305841 0.92 MCL1 (0.36) PYGLITGB1ITGA5HRH2HRH1
SCHEMBL16305995 0.92 S1PR1 (0.37) ITGB1ITGA5HRH2HRH1S1PR1
SCHEMBL17834564 0.92 PYGL (0.41) PYGLITGB1S1PR1PRCPS1PR5
SCHEMBL16306017 0.91 S1PR5 (0.42) ITGB1ITGA5HRH2HRH1S1PR1
SCHEMBL16305699 0.91 ACACB (0.36) ITGB1ITGA5HRH2HRH1

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-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-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
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 PYGL 779/4885ITGB1 3589/4885ITGA5 4689/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 779/4885ITGB1 3589/4885ITGA5 4689/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 779/4885ITGB1 3589/4885ITGA5 4689/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 779/4885ITGB1 3589/4885ITGA5 4689/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PYGL 607/4885ITGB1 3369/4885ITGA5 4618/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PYGL 607/4885ITGB1 3369/4885ITGA5 4618/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 779/4885ITGB1 3589/4885ITGA5 4689/4885

“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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