SCHEMBL4370045

SCHEMBL4370045

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.65
KLK7 P49862 1/20 0.65
CACNA1B Q00975 5/20 0.59
PPARA Q07869 3/20 0.57
SYK P43405 1/20 0.54
CTSS P25774 4/20 0.54
CTSK P43235 3/20 0.52
PPARG P37231 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
TACR1 P25103 1/20 0.51
ACE P12821 1/20 0.50
MMP9 P14780 1/20 0.48

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
SCHEMBL9943562 0.95 KLK5 (0.65) KLK5KLK7CACNA1BPPARASYK
SCHEMBL9943561 0.95 KLK5 (0.65) KLK5KLK7CACNA1BPPARASYK
SCHEMBL10585294 0.95 KLK5 (0.65) KLK5KLK7CACNA1BPPARASYK
SCHEMBL12585497 0.95 KLK5 (0.65) KLK5KLK7CACNA1BPPARASYK
SCHEMBL25491606 0.94 KLK7 (0.59) KLK5KLK7CACNA1BPPARASYK
SCHEMBL17659960 0.94 KLK5 (0.62) KLK5KLK7CACNA1BPPARASYK
SCHEMBL5419241 0.94 KLK7 (0.59) KLK5KLK7CACNA1BPPARASYK
SCHEMBL20481004 0.94 CACNA1B (0.59) KLK5KLK7CACNA1BPPARASYK
SCHEMBL5870038 0.94 KLK5 (0.64) KLK5KLK7CACNA1BPPARASYK
SCHEMBL20144655 0.94 CACNA1B (0.59) KLK5KLK7CACNA1BPPARASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
EP-0303602-A4 ENZYMATIC SYNTHESIS. COMMW SCIENT IND RES ORG (AU) 1990-06-26 EP disclosed
EP-0303602-A1 ENZYMATIC SYNTHESIS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1989-02-22 EP disclosed
WO-1987006268-A1 ENZYMATIC SYNTHESIS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1987-10-22 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 (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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF KLK5 1520/4885KLK7 1937/4885CACNA1B 2367/4885

“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.