SCHEMBL5223880

SCHEMBL5223880

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCc1ccc(CC(=O)O)cc1)Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFD P00746 13/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SCN9A Q15858 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL5223869 1.00 CFD (0.42) CFDCTSSCTSKSCN9ATDP1
SCHEMBL4888653 0.88 TDP1 (0.52) CTSSCTSKSCN9ATDP1
SCHEMBL4888640 0.88 TDP1 (0.52) CTSSCTSKSCN9ATDP1
SCHEMBL5223701 0.83 DPP4 (0.50) CFD
SCHEMBL5223707 0.83 DPP4 (0.50) CFD
SCHEMBL6298469 0.82 TDP1 (0.56) CTSSCTSKSCN9ATDP1ATM
SCHEMBL8294401 0.82 TDP1 (0.56) CTSSCTSKSCN9ATDP1ATM
SCHEMBL14102471 0.82 KLK5 (0.54) TDP1
SCHEMBL8505388 0.80 CTSK (0.47) CTSSCTSKSCN9AATMPTPN1
SCHEMBL4921729 0.80 CTSK (0.47) CTSSCTSKSCN9AATMPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406872-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-12-19 EP disclosed
US-7098239-B2 Dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC (US) 2006-08-29 US disclosed
US-20040176428-A1 Dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. 2004-09-09 US 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 (1 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-20040176428-A1 Dipeptidyl peptidase inhibitors for the treatment of diabetes DPP4, DPP3, DPP9 CFD 1454/4885CTSS 1619/4885CTSK 1318/4885

“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.