SCHEMBL6466473

SCHEMBL6466473

CC(C)(C)OC(=O)NCC(O)(C#N)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.52
CTSK P43235 8/20 0.52
CTSB P07858 5/20 0.48
CTSL P07711 3/20 0.48
SIGMAR1 Q99720 3/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
IDO1 P14902 1/20 0.44
SYK P43405 1/20 0.42
AKT1 P31749 2/20 0.41

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
SCHEMBL15776420 0.87 CTSS (0.50) CTSSCTSKCTSBCTSLSIGMAR1
SCHEMBL6463767 0.84 LMNA (0.48) CTSSCTSKCTSBCTSLCA12
SCHEMBL16384584 0.79 TDP1 (0.43) CTSSCTSKCTSBCTSL
SCHEMBL12475422 0.77 CTSS (0.42) CTSSCTSKCTSBCTSL
SCHEMBL572740 0.75 IDO1 (0.60) CTSSCTSKSIGMAR1CA12CA1
SCHEMBL6467403 0.74 SIGMAR1 (0.41) CTSSCTSKSIGMAR1CA12CA1
Propionic Acid SCHEMBL8529443 0.73 CTSK (0.57) CTSSCTSKSIGMAR1CA12CA1
SCHEMBL893896 0.73 SIGMAR1 (0.53) CTSSCTSKSIGMAR1CA12CA1
SCHEMBL4583683 0.73 POLB (0.65) CTSKSIGMAR1IDO1
SCHEMBL27647644 0.72 CTSK (0.43) CTSSCTSKSIGMAR1CA12CA1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSK 32/4885CTSB 11/4885

“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.