SCHEMBL16305689

SCHEMBL16305689

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ITGB1 P05556 4/20 0.44
▸ ITGA4 P13612 3/20 0.44
▸ ITGB3 P05106 5/20 0.44
▸ ITGA2B P08514 4/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ SUCNR1 Q9BXA5 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA5 P08648 1/20 0.40

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
SCHEMBL16305799 1.00 PPARG (0.45) PPARGPOLBPPARAITGB1ITGA4
SCHEMBL16305943 0.93 PPARG (0.45) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16305929 0.93 ITGB3 (0.45) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16305928 0.92 KLKB1 (0.44) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037075 0.92 ITGB3 (0.47) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16380212 0.92 PPARG (0.48) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16380214 0.92 PPARG (0.48) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16306044 0.92 PPARG (0.48) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16305803 0.92 ITGB3 (0.43) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16305805 0.92 ITGB1 (0.42) PPARGPPARAITGB1ITGA4ITGB3

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 PPARG 317/4885POLB 4768/4885PPARA 491/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885POLB 4768/4885PPARA 491/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885POLB 4768/4885PPARA 491/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885POLB 4768/4885PPARA 491/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PPARG 263/4885POLB 4794/4885PPARA 417/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PPARG 263/4885POLB 4794/4885PPARA 417/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885POLB 4768/4885PPARA 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.

Send feedback