SCHEMBL17834878

SCHEMBL17834878

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(-c5cccc(OC(F)(F)F)c5)cc4F)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
KIFC1 Q9BW19 4/20 0.39
KIF11 P52732 1/20 0.39
PIM1 P11309 2/20 0.36
MME P08473 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
ITGA5 P08648 1/20 0.35
DHODH Q02127 6/20 0.35
MMP12 P39900 3/20 0.34
CTSA P10619 1/20 0.34

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 0.95 ITGB1 (0.39) ITGB1ITGA4ITGB7KIFC1KIF11
SCHEMBL17834652 0.95 MMP12 (0.37) ITGB1ITGA4ITGB7KIFC1KIF11
SCHEMBL17834586 0.91 FEN1 (0.39) ITGB1ITGA4ITGB7MME
SCHEMBL17834655 0.91 PRSS1 (0.34) ITGB1ITGA4ITGB7KIFC1KIF11
SCHEMBL19807140 0.90 FEN1 (0.34) ITGB1ITGA4ITGB7KIFC1
SCHEMBL17834633 0.90 F2 (0.35) KIFC1MME
SCHEMBL19485597 0.90 ALOX5AP (0.35) ITGB1ITGA4ITGB7KIFC1KIF11
SCHEMBL17834618 0.90 PYGL (0.35) ITGB1KIFC1ITGA5
SCHEMBL17834617 0.90 PYGL (0.41) ITGB1ITGA4ITGB7MMEITGA5
SCHEMBL17834756 0.90 F2 (0.36) ITGB1ITGA4ITGB7MMEITGA5

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 ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGB1 3589/4885ITGA4 4651/4885ITGB7 3923/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ITGB1 3369/4885ITGA4 4604/4885ITGB7 3925/4885

“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.