SCHEMBL17825512

SCHEMBL17825512

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(-c4ccc(OS(=O)(=O)C(F)(F)F)cc4F)cn3)cc2)C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.38
KIFC1 Q9BW19 2/20 0.38
CA2 P00918 2/20 0.37
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
CDC25B P30305 1/20 0.36
GPR132 Q9UNW8 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM4A O75164 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
GPR34 Q9UPC5 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34

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
SCHEMBL17825510 1.00 MCL1 (0.38) MCL1KIFC1CA2PTPN1PTPN2
SCHEMBL22367910 0.93 MCL1 (0.34) MCL1KIFC1ALOX5APFEN1MME
SCHEMBL17825473 0.93 MCL1 (0.34) MCL1KIFC1ALOX5APFEN1MME
SCHEMBL22384086 0.93 ALOX5AP (0.38) PTPN1ALOX5APFEN1
SCHEMBL17834709 0.93 ALOX5AP (0.38) PTPN1ALOX5APFEN1
SCHEMBL17968932 0.90 ITGB1 (0.33) MCL1ITGB1ITGA4ITGB7ALOX5AP
SCHEMBL22384218 0.90 CTSS (0.35) KIFC1ALOX5APFEN1
SCHEMBL17968749 0.90 ITGB1 (0.33) MCL1ITGB1ITGA4ITGB7ALOX5AP
SCHEMBL17834699 0.89 ALOX5AP (0.40) MCL1ALOX5APFEN1
SCHEMBL17834514 0.88 GPR132 (0.44) MCL1KIFC1PTPN1PTPN2CDC25B

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 MCL1 2102/4885KIFC1 4738/4885CA2 3950/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R MCL1 2102/4885KIFC1 4738/4885CA2 3950/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR MCL1 1664/4885KIFC1 4749/4885CA2 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.