SCHEMBL17825511

SCHEMBL17825511

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4ccc(O)cc4F)cn3)cc2)C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 2/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HPGDS O60760 2/20 0.38
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 1/20 0.38
ALB P02768 1/20 0.37
IL2 P60568 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA5 P08648 1/20 0.37
ITGB5 P18084 1/20 0.37
MCL1 Q07820 1/20 0.36
MME P08473 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36
ALOX5AP P20292 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
SCHEMBL17968845 1.00 KIFC1 (0.41) KIFC1CA1CA2HPGDSPRSS1
SCHEMBL17825401 0.92 MME (0.35) KIFC1HPGDSMMEALOX5APFEN1
SCHEMBL17834723 0.91 LY96 (0.40) HPGDSALOX5APFEN1
SCHEMBL22384234 0.91 LY96 (0.40) HPGDSALOX5APFEN1
SCHEMBL17834642 0.90 KIFC1 (0.43) KIFC1ITGB1MCL1MMEPTPN2
SCHEMBL17968933 0.90 KIFC1 (0.34) KIFC1HPGDSPRSS1TMPRSS15MME
SCHEMBL19465504 0.90 KIFC1 (0.34) KIFC1HPGDSPRSS1TMPRSS15MME
SCHEMBL17834479 0.89 KIFC1 (0.48) KIFC1ITGB3ITGB1ITGAVITGA2B
SCHEMBL17834497 0.89 KIFC1 (0.48) KIFC1ITGB1MCL1ALOX5APFEN1
SCHEMBL17834673 0.89 KIFC1 (0.41) KIFC1ITGB3ITGB1ITGAVITGA2B

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 KIFC1 4738/4885CA1 4440/4885CA2 3950/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R KIFC1 4738/4885CA1 4440/4885CA2 3950/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR KIFC1 4749/4885CA1 4299/4885CA2 3647/4885

“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.