SCHEMBL17834904

SCHEMBL17834904

CCCOc1ccc(-c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N[C@H](C)C(=O)O)cc4)nc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.40
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
XIAP P98170 1/20 0.39
MME P08473 2/20 0.38
ANPEP P15144 2/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37

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
SCHEMBL16305600 1.00 KLKB1 (0.40) KLKB1ITGB1ITGA4XIAPMME
SCHEMBL16305982 0.98 ITGB1 (0.41) KLKB1ITGB1ITGA4XIAPMME
SCHEMBL17834747 0.96 ITGB1 (0.44) KLKB1ITGB1ITGA4XIAPITGB3
SCHEMBL16305971 0.96 ITGB1 (0.44) KLKB1ITGB1ITGA4XIAPITGB3
SCHEMBL15037138 0.95 ITGB1 (0.43) KLKB1ITGB1ITGA4ITGB3ITGA2B
SCHEMBL16306002 0.95 ITGB1 (0.43) KLKB1ITGB1ITGA4ITGB3ITGA2B
SCHEMBL15037227 0.95 ITGB1 (0.43) KLKB1ITGB1ITGA4ITGB3ITGA2B
SCHEMBL15037076 0.95 ITGB1 (0.43) KLKB1ITGB1ITGA4ITGB3ITGA2B
SCHEMBL22449065 0.95 ITGB1 (0.43) KLKB1ITGB1ITGA4ITGB3ITGA2B
SCHEMBL15037413 0.95 ITGB1 (0.43) KLKB1ITGB1ITGA4ITGB3ITGA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP 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-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
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 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 (3 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 2855/4885ITGB1 3589/4885ITGA4 4651/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KLKB1 2855/4885ITGB1 3589/4885ITGA4 4651/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR KLKB1 2865/4885ITGB1 3369/4885ITGA4 4604/4885

“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.