SCHEMBL16306281

SCHEMBL16306281

C[C@@H](NC(=O)[C@H](Cc1ccc(-c2ncc(-c3cccc(C(=O)Nc4cccc(F)c4)c3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.42
ESR1 P03372 2/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ABL1 P00519 3/20 0.38
BCR P11274 3/20 0.38
ESR2 Q92731 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
DGAT1 O75907 2/20 0.37
MME P08473 1/20 0.36
ANPEP P15144 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KIFC1 Q9BW19 2/20 0.36
CTSL P07711 1/20 0.36
BLK P51451 1/20 0.36
BTK Q06187 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
SCHEMBL17834845 0.91 KIFC1 (0.41) MMEANPEPKIFC1
SCHEMBL16305743 0.87 MME (0.36) MAPTABL1BCRITGB3ITGAV
SCHEMBL17834776 0.87 NPC1 (0.41) MMEANPEPNPC1RAB9ARXFP1
SCHEMBL17834782 0.87 MME (0.45) MMEANPEP
SCHEMBL16306224 0.86 MME (0.46) MMEANPEP
SCHEMBL17834727 0.86 MME (0.37) MMEANPEPKIFC1CTSL
SCHEMBL16306282 0.85 MME (0.41) MMEANPEPKIFC1
SCHEMBL17834631 0.85 KIFC1 (0.41) ITGB3ITGAVMMEANPEPKIFC1
SCHEMBL17834572 0.85 MME (0.46) MMEANPEP
SCHEMBL17834905 0.85 SDCBP (0.40) MMEANPEPKIFC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 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
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-07-28 US disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2015-01-08 US disclosed
WO-2014201172-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2014-12-18 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 (7 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 ESRRG 212/4885ESR1 576/4885TP53 4080/4885
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ESRRG 212/4885ESR1 576/4885TP53 4080/4885
US-20160214993-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ESRRG 212/4885ESR1 576/4885TP53 4080/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ESRRG 212/4885ESR1 576/4885TP53 4080/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ESRRG 165/4885ESR1 341/4885TP53 3798/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ESRRG 165/4885ESR1 341/4885TP53 3798/4885
US-20150011527-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ESRRG 212/4885ESR1 576/4885TP53 4080/4885

“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.