SCHEMBL16305800

SCHEMBL16305800

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.45
▸ PPARG P37231 3/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ITGB1 P05556 3/20 0.44
▸ ITGA4 P13612 3/20 0.44
▸ ITGB3 P05106 3/20 0.44
▸ ITGA2B P08514 3/20 0.44
▸ PLG P00747 1/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RARB P10826 3/20 0.39
▸ KIFC1 Q9BW19 1/20 0.38

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
SCHEMBL16305813 0.92 ITGB3 (0.46) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL15037075 0.91 ITGB3 (0.47) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16306268 0.91 PPARG (0.45) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16380214 0.91 PPARG (0.48) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16380212 0.91 PPARG (0.48) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16306044 0.91 PPARG (0.48) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16305799 0.91 PPARG (0.45) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16305689 0.91 PPARG (0.45) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16305683 0.90 PPARG (0.47) KLKB1PPARGPPARAITGB1ITGA4
SCHEMBL16306129 0.90 PPARG (0.47) KLKB1PPARGPPARAITGB1ITGA4

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

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