SCHEMBL16305735

SCHEMBL16305735

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.52
▸ PPARA Q07869 1/20 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
▸ KLKB1 P03952 1/20 0.46
▸ PLG P00747 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ RARB P10826 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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 0.95 PPARG (0.53) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16306271 0.94 PPARG (0.52) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16306102 0.94 PPARG (0.52) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16380172 0.94 PPARG (0.52) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16306272 0.93 PPARG (0.52) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16305739 0.93 PPARG (0.52) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15036989 0.93 PPARG (0.51) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449258 0.93 PPARG (0.51) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16306246 0.93 PPARG (0.51) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL16306036 0.93 PPARG (0.51) 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 317/4885PPARA 491/4885ITGB1 3589/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885ITGB1 3589/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PPARG 263/4885PPARA 417/4885ITGB1 3369/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PPARG 263/4885PPARA 417/4885ITGB1 3369/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PPARG 317/4885PPARA 491/4885ITGB1 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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