SCHEMBL17825473

SCHEMBL17825473

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(-c3ccc(OS(=O)(=O)C(F)(F)F)cc3F)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.34
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
SDCBP O00560 3/20 0.33
SDC2 P34741 3/20 0.33
KLKB1 P03952 3/20 0.33
KIFC1 Q9BW19 2/20 0.33
CTSD P07339 1/20 0.33
MME P08473 2/20 0.33
ANPEP P15144 1/20 0.33
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 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
SCHEMBL22367910 1.00 MCL1 (0.34) MCL1ALOX5APFEN1SDCBPSDC2
SCHEMBL17834699 0.94 ALOX5AP (0.40) MCL1ALOX5APFEN1KLKB1CTSD
SCHEMBL17825512 0.93 MCL1 (0.38) MCL1ALOX5APFEN1KIFC1MME
SCHEMBL17825510 0.93 MCL1 (0.38) MCL1ALOX5APFEN1KIFC1MME
SCHEMBL17968918 0.91 MME (0.37) MCL1KLKB1KIFC1MMEANPEP
SCHEMBL19465502 0.91 MME (0.37) MCL1KLKB1KIFC1MMEANPEP
SCHEMBL17834439 0.89 MMP12 (0.37) ALOX5APFEN1SDCBPSDC2KLKB1
SCHEMBL16306237 0.89 GPR34 (0.40) KLKB1
SCHEMBL17834619 0.89 KLKB1 (0.39) ALOX5APFEN1KLKB1KIFC1MME
SCHEMBL17834709 0.89 ALOX5AP (0.38) ALOX5APFEN1

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 7 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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP 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 2102/4885ALOX5AP 3115/4885FEN1 3722/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885ALOX5AP 3115/4885FEN1 3722/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885ALOX5AP 3438/4885FEN1 3634/4885

“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.