SCHEMBL3478705

SCHEMBL3478705

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.60
KLK7 P49862 1/20 0.60
PPARA Q07869 3/20 0.55
SYK P43405 1/20 0.52
CTSS P25774 4/20 0.52
CTSK P43235 3/20 0.50
PPARG P37231 2/20 0.50
REN P00797 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CACNA1B Q00975 4/20 0.49
ACE P12821 1/20 0.48
MMP9 P14780 1/20 0.47

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
SCHEMBL15559104 1.00 KLK5 (0.60) KLK5KLK7PPARASYKCTSS
SCHEMBL11598914 1.00 KLK5 (0.60) KLK5KLK7PPARASYKCTSS
Hydrochloric Acid SCHEMBL11598965 0.99 KLK5 (0.59) KLK5KLK7PPARASYKCTSS
SCHEMBL11596080 0.92 REN (0.61) KLK5KLK7CTSSCTSKREN
SCHEMBL11597491 0.92 KLK7 (0.54) KLK5KLK7PPARACTSSCTSK
SCHEMBL11648764 0.91 KLK5 (0.52) KLK5KLK7PPARASYKCTSS
SCHEMBL11647014 0.91 CTSS (0.62) KLK5KLK7PPARACTSSCTSK
SCHEMBL11599055 0.91 REN (0.65) KLK5KLK7CTSSCTSKREN
SCHEMBL6178945 0.90 SYK (0.55) KLK5KLK7PPARASYKCTSS
SCHEMBL7205174 0.90 REN (0.61) KLK5KLK7CTSSCTSKREN

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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK CANADA INC. (CA) 2012-04-26 US disclosed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5162336-A Disorders of gastrointestinal, central nervous and appetite regulatory systems RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-10 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP 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-20120101053-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES CTSL, CTSS, CTSZ KLK5 1345/4885KLK7 2533/4885PPARA 3389/4885

“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.