SCHEMBL17459539

SCHEMBL17459539

CCc1ccc(C(=O)NC(Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 12/20 0.42
▸ ITGB7 P26010 11/20 0.42
▸ ITGB1 P05556 11/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ ITGB5 P18084 1/20 0.40
▸ KIFC1 Q9BW19 2/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ MME P08473 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL17459538 1.00 ITGA4 (0.42) ITGA4ITGB7ITGB1ITGB3ITGAV
SCHEMBL17468458 0.87 MAPT (0.42) KMT2A
SCHEMBL15019922 0.86 MME (0.42) ITGA4ITGB7ITGB1ITGB3ITGAV
SCHEMBL15019919 0.86 MME (0.42) ITGA4ITGB7ITGB1ITGB3ITGAV
SCHEMBL22449271 0.86 KIFC1 (0.44) ITGA4ITGB7ITGB1ITGB3ITGAV
SCHEMBL15037185 0.86 KIFC1 (0.44) ITGA4ITGB7ITGB1ITGB3ITGAV
SCHEMBL17459574 0.86 PYGL (0.38) ITGA4ITGB7ITGB1HPGDSACE2
SCHEMBL17459576 0.86 PYGL (0.38) ITGA4ITGB7ITGB1HPGDSACE2
SCHEMBL28547699 0.85 CASP1 (0.38) KMT2ANPC1
SCHEMBL17834447 0.84 MME (0.40) ITGA4ITGB7ITGB1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 — — US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 — — US disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 — — EP disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 — — US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 — — US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 — — 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 (2 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 3987/4885ITGB7 2529/4885ITGB1 2411/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 3987/4885ITGB7 2529/4885ITGB1 2411/4885

“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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