SCHEMBL16305702

SCHEMBL16305702

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 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 3/20 0.39
▸ ITGB7 P26010 3/20 0.39
▸ ITGB1 P05556 2/20 0.39
▸ CA2 P00918 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ PYGL P06737 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ F2 P00734 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ P2RY12 Q9H244 1/20 0.35
▸ CYP51A1 Q16850 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
SCHEMBL17834564 0.93 PYGL (0.41) ITGA4ITGB7ITGB1PYGLKMT2A
SCHEMBL16306134 0.93 PYGL (0.34) ITGA4ITGB7ITGB1PYGL
SCHEMBL16305701 0.93 S1PR1 (0.41) PYGLF2F10PLGPLAU
SCHEMBL16305996 0.93 S1PR1 (0.40) ITGA4ITGB1P2RY12
SCHEMBL17834756 0.92 F2 (0.36) ITGA4ITGB7ITGB1PYGLF2
SCHEMBL16305995 0.92 S1PR1 (0.37) ITGA4ITGB1
SCHEMBL16306001 0.92 ITGB1 (0.36) ITGA4ITGB7ITGB1PYGLKMT2A
SCHEMBL16305841 0.92 MCL1 (0.36) ITGB1PYGL
SCHEMBL16294409 0.92 ITGB3 (0.38) CA2PYGL
SCHEMBL16343238 0.92 ITGB3 (0.38) CA2PYGL

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 13 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
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-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — 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 ITGA4 4651/4885ITGB7 3923/4885ITGB1 3589/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 4651/4885ITGB7 3923/4885ITGB1 3589/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 4651/4885ITGB7 3923/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 4651/4885ITGB7 3923/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGA4 4604/4885ITGB7 3925/4885ITGB1 3369/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGA4 4604/4885ITGB7 3925/4885ITGB1 3369/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 4651/4885ITGB7 3923/4885ITGB1 3589/4885

“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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