SCHEMBL16306067

SCHEMBL16306067

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@@H](CC(C)C)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.43
▸ ITGA4 P13612 4/20 0.43
▸ ITGB3 P05106 5/20 0.43
▸ ITGA2B P08514 5/20 0.43
▸ NTSR2 O95665 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ KLKB1 P03952 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ PLG P00747 1/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL16305368 0.94 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL16305367 0.94 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15037130 0.93 ITGB1 (0.44) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL22449293 0.93 ITGB1 (0.44) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15037416 0.93 ITGB1 (0.44) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL16305712 0.93 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL22384144 0.93 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL22756192 0.93 ITGB1 (0.44) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL16306073 0.93 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL15037141 0.93 ITGB1 (0.44) ITGB1ITGA4ITGB3ITGA2BPPARG

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
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-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 (6 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 ITGB1 3589/4885ITGA4 4651/4885ITGB3 4025/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB3 4025/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB3 4025/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB3 3678/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB3 3678/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB3 4025/4885

“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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