SCHEMBL5457816

SCHEMBL5457816

CC[C@H](NC(=O)OC(C)(C)C)C(O)C(=O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
ATM Q13315 1/20 0.52
BACE1 P56817 8/20 0.50
CTSS P25774 4/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
SYK P43405 1/20 0.49
KLK5 Q9Y337 1/20 0.47
REN P00797 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 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
SCHEMBL5457812 1.00 CTSK (0.55) CTSKATMBACE1CTSSCTSL
SCHEMBL17097354 0.90 ATM (0.58) CTSKATMBACE1CTSSCTSL
SCHEMBL16482788 0.90 ATM (0.58) CTSKATMBACE1CTSSCTSL
SCHEMBL16463143 0.90 ATM (0.58) CTSKATMBACE1CTSSCTSL
SCHEMBL17106947 0.89 CTSK (0.65) CTSKATMBACE1CTSSCTSL
SCHEMBL16462512 0.89 CTSK (0.65) CTSKATMBACE1CTSSCTSL
SCHEMBL10571494 0.88 BACE1 (0.60) BACE1REN
SCHEMBL7429906 0.87 CTSK (0.49) CTSKATMBACE1CTSSCTSL
SCHEMBL21457973 0.83 CTSS (0.56) CTSKATMCTSSCTSLCTSB
SCHEMBL21457987 0.83 CTSS (0.56) CTSKATMCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 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-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CTSK 7/4885ATM 4083/4885BACE1 494/4885

“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.