SCHEMBL8304409

SCHEMBL8304409

COC(=O)C(Cc1ccc(-c2ccccc2C)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
KLK5 Q9Y337 1/20 0.55
PTPN1 P18031 1/20 0.52
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ACE P12821 1/20 0.48
EPHX2 P34913 1/20 0.47
BCL2 P10415 1/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MME P08473 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13227703 0.90 PTPN1 (0.63) CTSSCTSKPTPN1CTSLCTSB
SCHEMBL1826757 0.88 CTSS (0.69) CTSSCTSKKLK5PTPN1CTSL
SCHEMBL2802961 0.88 CTSS (0.69) CTSSCTSKKLK5PTPN1CTSL
SCHEMBL10033679 0.88 CTSS (0.69) CTSSCTSKKLK5PTPN1CTSL
SCHEMBL1828316 0.88 ITGA4 (0.56) CTSSCTSKKLK5PTPN1
SCHEMBL5262564 0.88 ITGA4 (0.56) CTSSCTSKKLK5PTPN1
SCHEMBL8300269 0.88 KLK5 (0.54) CTSSCTSKKLK5PTPN1CTSL
SCHEMBL1823733 0.86 CTSS (0.53) CTSSCTSKKLK5PTPN1CTSL
SCHEMBL5261103 0.85 PTPN1 (0.72) CTSSCTSKKLK5PTPN1CTSL
SCHEMBL5261105 0.85 PTPN1 (0.72) CTSSCTSKKLK5PTPN1CTSL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2003033671-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-24 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-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR CTSS 1653/4885CTSK 1090/4885KLK5 1071/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR CTSS 1653/4885CTSK 1090/4885KLK5 1071/4885

“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.