SCHEMBL17834768

SCHEMBL17834768

COc1cc(/C=C/c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@H](C)C(=O)O)cc3)nc2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.36
KLKB1 P03952 3/20 0.36
CA2 P00918 1/20 0.36
MME P08473 3/20 0.35
ANPEP P15144 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
PTPN1 P18031 1/20 0.34
MCL1 Q07820 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
SCHEMBL17834541 0.94 GPR139 (0.41) GPR139KLKB1MMEANPEPPTPN1
SCHEMBL17834556 0.89 MME (0.36) MMEANPEPMCL1
SCHEMBL16306239 0.89 MME (0.42) KLKB1MMEANPEPMCL1
SCHEMBL16306086 0.88 CA2 (0.40) KLKB1CA2MMEANPEP
SCHEMBL16305599 0.88 CA2 (0.40) KLKB1CA2MMEANPEP
SCHEMBL16305744 0.88 PTPN1 (0.39) GPR139KLKB1CA2MMEANPEP
SCHEMBL17834760 0.88 MCL1 (0.41) MCL1
SCHEMBL17834759 0.88 KLKB1 (0.43) KLKB1
SCHEMBL16305890 0.88 MME (0.37) KLKB1MMEANPEPPPARGMCL1
SCHEMBL16305891 0.88 MME (0.37) KLKB1MMEANPEP

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 GPR139 103/4885KLKB1 2855/4885CA2 3950/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R GPR139 103/4885KLKB1 2855/4885CA2 3950/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR GPR139 125/4885KLKB1 2865/4885CA2 3647/4885

“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.