SCHEMBL17834758

SCHEMBL17834758

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(/C=C/c3ccc(C(F)(F)F)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.40
PPARG P37231 2/20 0.40
PSMB5 P28074 1/20 0.39
KIFC1 Q9BW19 4/20 0.39
CTSL P07711 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
BACE1 P56817 1/20 0.37
FFAR1 O14842 1/20 0.36
MME P08473 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL17834760 0.93 MCL1 (0.41) MCL1PSMB5KIFC1
SCHEMBL17834725 0.92 NPC1 (0.39) PSMB5CTSLNOS3NOS1NOS2
SCHEMBL16306244 0.92 KIFC1 (0.42) MCL1PSMB5KIFC1CTSLFFAR1
SCHEMBL17834785 0.92 KIFC1 (0.42) MCL1PSMB5KIFC1CTSLFFAR1
SCHEMBL16305890 0.92 MME (0.37) MCL1PPARGKIFC1MMEANPEP
SCHEMBL16305891 0.92 MME (0.37) KIFC1MMEANPEP
SCHEMBL17834890 0.92 MME (0.37) KIFC1MMEANPEP
SCHEMBL16306239 0.91 MME (0.42) MCL1MMEANPEP
SCHEMBL17834777 0.91 KIFC1 (0.45) MCL1KIFC1CTSL
SCHEMBL19481399 0.91 KIFC1 (0.41) MCL1PSMB5KIFC1CTSLFFAR1

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 8 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-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-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 MCL1 2102/4885PPARG 317/4885PSMB5 3434/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885PPARG 317/4885PSMB5 3434/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885PPARG 263/4885PSMB5 3810/4885

“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.