SCHEMBL8300267

SCHEMBL8300267

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.48
CTSS P25774 10/20 0.43
CTSK P43235 9/20 0.43
CTSB P07858 4/20 0.43
ACE P12821 1/20 0.41
PPARG P37231 1/20 0.41
PTPN1 P18031 1/20 0.41
CTSL P07711 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
EPHX2 P34913 1/20 0.39
ABCB1 P08183 1/20 0.39
BCL2 P10415 1/20 0.39
TACR1 P25103 1/20 0.39

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
SCHEMBL7221311 0.92 KLK5 (0.49) KLK5CTSSCTSKCTSBACE
SCHEMBL5788159 0.90 KLK5 (0.48) KLK5CTSSCTSKCTSBACE
SCHEMBL864694 0.85 KLK5 (0.53) KLK5CTSSCTSKCTSBACE
SCHEMBL7442384 0.85 KLK5 (0.53) KLK5CTSSCTSKCTSBACE
SCHEMBL1819934 0.85 KLK5 (0.53) KLK5CTSSCTSKCTSBACE
SCHEMBL5785310 0.83 SCN9A (0.42) KLK5CTSSCTSKCTSBACE
SCHEMBL27406845 0.82 KLK5 (0.49) KLK5CTSSCTSKCTSBACE
SCHEMBL15804457 0.82 KLK5 (0.39) KLK5CTSSCTSKCTSLTACR1
SCHEMBL17933019 0.81 KLK5 (0.55) KLK5CTSSCTSKCTSBACE
SCHEMBL10099995 0.81 KLK5 (0.55) KLK5CTSSCTSKCTSBACE

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-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
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 KLK5 1071/4885CTSS 1653/4885CTSK 1090/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR KLK5 1071/4885CTSS 1653/4885CTSK 1090/4885

“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.