SCHEMBL17834483

SCHEMBL17834483

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(C5CCCCC5)cc4)cn3)cc2)C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.40
▸ MME P08473 6/20 0.40
▸ ACE2 Q9BYF1 6/20 0.40
▸ CPA1 P15085 5/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ ITGA4 P13612 5/20 0.38
▸ ITGB7 P26010 2/20 0.38
▸ ITGB1 P05556 4/20 0.38
▸ KIFC1 Q9BW19 2/20 0.38
▸ TPH1 P17752 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRCP P42785 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL17834621 0.93 KIFC1 (0.37) ACEMMEACE2CPA1ITGA4
SCHEMBL17834675 0.93 KIFC1 (0.37) ACEMMEACE2CPA1ITGA4
SCHEMBL17834615 0.92 ACE (0.39) ACEMMEACE2CPA1MMP2
SCHEMBL17834445 0.92 KIFC1 (0.37) ACEMMEACE2CPA1ITGA4
SCHEMBL16306201 0.91 MME (0.38) ACEMMEACE2CPA1MMP2
SCHEMBL17834920 0.91 KIFC1 (0.38) ACEMMEACE2CPA1ITGA4
SCHEMBL17825447 0.91 KIFC1 (0.38) ACEMMEACE2CPA1ITGA4
SCHEMBL17825448 0.91 KIFC1 (0.38) ACEMMEACE2CPA1ITGA4
SCHEMBL17825449 0.91 KIFC1 (0.38) ACEMMEACE2CPA1ITGA4
SCHEMBL22384075 0.91 MAPT (0.37) F2

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 ACE 3137/4885MME 796/4885ACE2 3162/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ACE 3137/4885MME 796/4885ACE2 3162/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR ACE 2924/4885MME 919/4885ACE2 3115/4885

“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.

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