SCHEMBL17834622

SCHEMBL17834622

CCCOc1ccc(-c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C(C)(C)C)s5)C(=O)O)cc4)nc3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.42
ITGA2B P08514 7/20 0.42
ITGB1 P05556 5/20 0.42
ITGA4 P13612 3/20 0.42
KIFC1 Q9BW19 2/20 0.42
GPR34 Q9UPC5 2/20 0.41
ITGAV P06756 2/20 0.38
ITGA5 P08648 2/20 0.38
PPARG P37231 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 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
SCHEMBL22384398 0.91 S1PR1 (0.37) ITGB3ITGA2BITGB1ITGA4KIFC1
SCHEMBL17834479 0.91 KIFC1 (0.48) ITGB3ITGA2BITGB1KIFC1ITGAV
SCHEMBL17834514 0.91 GPR132 (0.44) ITGB1ITGA4KIFC1GPR34
SCHEMBL17834623 0.90 KIFC1 (0.45) KIFC1MMEACECPA1ACE2
SCHEMBL17834923 0.90 ROCK2 (0.35) ITGB3ITGA2BITGB1ITGA4KIFC1
SCHEMBL15037215 0.89 ITGB1 (0.49) ITGB3ITGA2BITGB1ITGA4KIFC1
SCHEMBL22449163 0.89 ITGB1 (0.49) ITGB3ITGA2BITGB1ITGA4KIFC1
SCHEMBL17834497 0.88 KIFC1 (0.48) ITGB1ITGA4KIFC1GPR34
SCHEMBL17834673 0.88 KIFC1 (0.41) ITGB3ITGA2BITGB1ITGA4KIFC1
SCHEMBL17834642 0.88 KIFC1 (0.43) ITGB1ITGA4KIFC1GPR34MME

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 ITGB3 4025/4885ITGA2B 4142/4885ITGB1 3589/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB3 4025/4885ITGA2B 4142/4885ITGB1 3589/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB3 3678/4885ITGA2B 4134/4885ITGB1 3369/4885

“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.