SCHEMBL16306271

SCHEMBL16306271

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ KLKB1 P03952 4/20 0.52
▸ ITGB1 P05556 3/20 0.47
▸ ITGA4 P13612 3/20 0.47
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PLG P00747 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RARB P10826 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL16306189 0.96 PPARG (0.53) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16306102 0.95 PPARG (0.52) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16380172 0.95 PPARG (0.52) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16306272 0.94 PPARG (0.52) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16305739 0.94 PPARG (0.52) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16305735 0.94 PPARG (0.52) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL22449258 0.94 PPARG (0.51) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16306036 0.94 PPARG (0.51) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL15036989 0.94 PPARG (0.51) PPARGPPARAKLKB1ITGB1ITGA4
SCHEMBL16306246 0.94 PPARG (0.51) PPARGPPARAKLKB1ITGB1ITGA4

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 317/4885PPARA 491/4885KLKB1 2855/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885KLKB1 2855/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885KLKB1 2855/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885KLKB1 2855/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PPARG 263/4885PPARA 417/4885KLKB1 2865/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PPARG 263/4885PPARA 417/4885KLKB1 2865/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885KLKB1 2855/4885

“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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