SCHEMBL17834652

SCHEMBL17834652

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(-c5ccc(OC(F)(F)F)cc5)cc4F)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
GPR132 Q9UNW8 1/20 0.35
ABL1 P00519 7/20 0.35
CYP3A4 P08684 1/20 0.34
UGCG Q16739 1/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
GCGR P47871 1/20 0.34
KIF11 P52732 1/20 0.34
KIFC1 Q9BW19 1/20 0.34
LIPC P11150 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
KLKB1 P03952 1/20 0.33

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
SCHEMBL17834596 0.96 ITGB1 (0.39) MMP12ITGB1ITGA4ITGB7GPR132
SCHEMBL17834878 0.95 ITGB1 (0.42) MMP12ITGB1ITGA4ITGB7GPR132
SCHEMBL17834756 0.93 F2 (0.36) ITGB1ITGA4ITGB7PRSS1TMPRSS15
SCHEMBL17834927 0.93 ST14 (0.37) ITGB1PRSS1TMPRSS15KIFC1KLKB1
SCHEMBL17834633 0.93 F2 (0.35) PRSS1TMPRSS15KIFC1
SCHEMBL17834914 0.92 F10 (0.37) ITGB1PRSS1TMPRSS15
SCHEMBL17834924 0.92 S1PR1 (0.36) ITGB1ITGA4KIFC1
SCHEMBL17995211 0.92 DPP4 (0.37) ITGB1ITGA4ITGB7PRSS1TMPRSS15
SCHEMBL17834655 0.92 PRSS1 (0.34) ITGB1ITGA4ITGB7PRSS1TMPRSS15
SCHEMBL17834923 0.92 ROCK2 (0.35) ITGB1ITGA4KIFC1

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 MMP12 4516/4885ITGB1 3589/4885ITGA4 4651/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MMP12 4516/4885ITGB1 3589/4885ITGA4 4651/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MMP12 4447/4885ITGB1 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.