SCHEMBL17825525

SCHEMBL17825525

CS(=O)(=O)NC(=O)C(Cc1ccc(Br)cc1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.48
CXCR2 P25025 2/20 0.48
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
FPR2 P25090 2/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL17459586 0.84 ITGA4 (0.41) CXCR1CXCR2CTSSCTSKMMP2
SCHEMBL20412162 0.82 CTSS (0.67) CTSSCTSKBCL2HDAC8
SCHEMBL17834422 0.82 CTSS (0.67) CTSSCTSKBCL2HDAC8
SCHEMBL20397921 0.80 KMT2A (0.51) CTSSCTSKMMP2MMP1MMP3
SCHEMBL20397922 0.80 KMT2A (0.51) CTSSCTSKMMP2MMP1MMP3
SCHEMBL17834728 0.78 CXCR1 (0.51) CXCR1CXCR2MEN1NPC1RAB9A
SCHEMBL15690111 0.78 ITGB3 (0.43) CXCR1CXCR2MMP1MMP9MMP13
SCHEMBL22384235 0.78 MCL1 (0.44) CXCR1CXCR2CTSSCTSKHDAC1
SCHEMBL17825403 0.78 MCL1 (0.44) CXCR1CXCR2CTSSCTSKHDAC1
Hydrochloric Acid SCHEMBL17825443 0.77 CXCR1 (0.50) CXCR1CXCR2MEN1NPC1RAB9A

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-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-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
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP 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 CXCR1 370/4885CXCR2 806/4885CTSS 3233/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CXCR1 370/4885CXCR2 806/4885CTSS 3233/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CXCR1 359/4885CXCR2 824/4885CTSS 3308/4885

“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.