SCHEMBL17459581

SCHEMBL17459581

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
THRB P10828 1/20 0.39
CSK P41240 1/20 0.39
TPH1 P17752 10/20 0.38
ACACB O00763 1/20 0.38
PDE4B Q07343 1/20 0.37
ROCK2 O75116 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
SCHEMBL17459579 1.00 CXCR1 (0.42) CXCR1CXCR2THRBCSKTPH1
SCHEMBL17459533 0.83 CXCR1 (0.39) CXCR1CXCR2THRBPDE4B
SCHEMBL17834728 0.83 CXCR1 (0.51) CXCR1CXCR2THRBCSKACACB
SCHEMBL17459586 0.83 ITGA4 (0.41) CXCR1CXCR2PDE4B
Hydrochloric Acid SCHEMBL17825499 0.82 CXCR1 (0.50) CXCR1CXCR2THRBCSKACACB
Hydrochloric Acid SCHEMBL17825443 0.82 CXCR1 (0.50) CXCR1CXCR2THRBCSKACACB
SCHEMBL17459569 0.79 TPH1 (0.54) TPH1
SCHEMBL17459572 0.79 TPH1 (0.54) TPH1
SCHEMBL8517102 0.76 SLC7A5 (0.56) CXCR1CXCR2THRB
SCHEMBL17459606 0.76 ITGA4 (0.41) CXCR1CXCR2PDE4B

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 CXCR1 356/4885CXCR2 999/4885THRB 79/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CXCR1 356/4885CXCR2 999/4885THRB 79/4885

“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.