SCHEMBL17834868

SCHEMBL17834868

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(-c5ccc(Cl)c(Cl)c5)cc4F)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ITGB1 P05556 8/20 0.34
MCL1 Q07820 1/20 0.34
ITGA5 P08648 1/20 0.34
F10 P00742 1/20 0.34
TMPRSS6 Q8IU80 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
ITGA4 P13612 7/20 0.33
ITGB7 P26010 7/20 0.33
WDR5 P61964 1/20 0.33
DPP4 P27487 1/20 0.33
F11 P03951 1/20 0.33
FDFT1 P37268 1/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL17834869 0.95 ITGB1 (0.36) PYGLS1PR1ITGB1MCL1ITGA5
SCHEMBL17834471 0.95 ITGB1 (0.36) PYGLITGB1MCL1ITGA5ITGA4
SCHEMBL17834634 0.94 PYGL (0.40) PYGLS1PR1ITGB1ITGA5F10
SCHEMBL17834870 0.93 PYGL (0.38) PYGLS1PR1S1PR5ITGB1ITGA5
SCHEMBL17834636 0.93 PYGL (0.35) PYGLS1PR1F10ST14DPP4
SCHEMBL17834617 0.93 PYGL (0.41) PYGLS1PR1ITGB1ITGA5F10
SCHEMBL17834450 0.93 PYGL (0.39) PYGLITGB1MCL1ITGA5F10
SCHEMBL17995211 0.92 DPP4 (0.37) PYGLS1PR1ITGB1F10TMPRSS6
SCHEMBL19485597 0.92 ALOX5AP (0.35) PYGLS1PR1ITGB1MCL1ITGA4
SCHEMBL19807140 0.92 FEN1 (0.34) PYGLS1PR1ITGB1ITGA4ITGB7

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 PYGL 779/4885S1PR1 486/4885S1PR5 889/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R PYGL 779/4885S1PR1 486/4885S1PR5 889/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR PYGL 607/4885S1PR1 523/4885S1PR5 939/4885

“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.