SCHEMBL17459586

SCHEMBL17459586

CS(=O)(=O)NC(=O)C(Cc1ccc(-c2ncc(Br)cn2)cc1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.41
ITGB7 P26010 1/20 0.41
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
BCL2 P10415 2/20 0.38
CTSL P07711 2/20 0.37
PDE4B Q07343 1/20 0.37
MME P08473 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ITGB1 P05556 2/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 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
SCHEMBL17532279 0.85 TACR1 (0.51) BCL2CTSLCTSSCTSKCTSB
SCHEMBL22167247 0.85 TACR1 (0.51) BCL2CTSLCTSSCTSKCTSB
SCHEMBL17825525 0.84 CXCR1 (0.48) ITGA4CXCR1CXCR2BCL2MMP2
SCHEMBL17459579 0.83 CXCR1 (0.42) CXCR1CXCR2PDE4B
SCHEMBL17459581 0.83 CXCR1 (0.42) CXCR1CXCR2PDE4B
SCHEMBL17459606 0.82 ITGA4 (0.41) ITGA4ITGB7CXCR1CXCR2BCL2
SCHEMBL17492917 0.82 ITGA4 (0.41) ITGA4ITGB7CXCR1CXCR2BCL2
SCHEMBL17459533 0.78 CXCR1 (0.39) ITGA4ITGB7CXCR1CXCR2PDE4B
SCHEMBL15690111 0.72 ITGB3 (0.43) ITGA4ITGB7CXCR1CXCR2BCL2
SCHEMBL17459555 0.71 ITGA4 (0.56) ITGA4ITGB7BCL2CTSLACE

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-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 2529/4885CXCR1 356/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R ITGA4 3987/4885ITGB7 2529/4885CXCR1 356/4885

“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.