SCHEMBL16294409

SCHEMBL16294409

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(O)cc4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ PYGL P06737 1/20 0.36
▸ HPGDS O60760 2/20 0.35
▸ PRCP P42785 1/20 0.35
▸ LHCGR P22888 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ S1PR4 O95977 3/20 0.33
▸ S1PR1 P21453 3/20 0.33
▸ S1PR5 Q9H228 3/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ MME P08473 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL16343238 1.00 ITGB3 (0.38) ITGB3ITGA2BPYGLHPGDSPRCP
SCHEMBL17834564 0.95 PYGL (0.41) PYGLHPGDSPRCPS1PR4S1PR1
SCHEMBL16295288 0.94 ITGB3 (0.41) ITGB3ITGA2BPRCPMME
SCHEMBL16343137 0.94 ITGB3 (0.41) ITGB3ITGA2BPRCPMME
SCHEMBL16305700 0.94 S1PR4 (0.39) ITGB3ITGA2BPYGLPRCPLHCGR
SCHEMBL17834926 0.92 PYGL (0.37) PYGLHPGDSPRCPS1PR4S1PR1
SCHEMBL16305702 0.92 ITGA4 (0.39) PYGLCA2
SCHEMBL17834915 0.92 S1PR1 (0.39) PYGLPRCPS1PR4S1PR1S1PR5
SCHEMBL16306037 0.92 MCL1 (0.39) PYGLS1PR4S1PR1S1PR5S1PR3
SCHEMBL16295882 0.91 PYGL (0.38) ITGB3ITGA2BPYGLHPGDSPRCP

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 16 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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 — — EP disclosed
US-9598430-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-03-21 — — 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
EP-3008056-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2016-04-20 — — EP disclosed
US-9260427-B2 GLP-1 receptor modulators RECEPTOS, INC. (US) 2016-02-16 — — US 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 ITGB3 4025/4885ITGA2B 4142/4885PYGL 779/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885PYGL 779/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885PYGL 779/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885PYGL 779/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885PYGL 607/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885PYGL 607/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885PYGL 779/4885

“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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