SCHEMBL9067708

SCHEMBL9067708

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(=O)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
REN P00797 4/20 0.45
AAK1 Q2M2I8 1/20 0.44
CAPN1 P07384 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.41
MAP1LC3A Q9H492 1/20 0.41
CCKBR P32239 2/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL6465349 1.00 CTSL (0.48) CTSLCTSBCTSSCTSKREN
SCHEMBL10716735 0.80 TRPA1 (0.41) AAK1NPSR1MAPTKMT2AALDH1A1
SCHEMBL1889046 0.78 CTSS (0.55) CTSLCTSBCTSSCTSKTDP1
SCHEMBL27350811 0.74 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL4576781 0.74 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL25977614 0.74 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL7392267 0.74 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL1176795 0.73 CTSL (0.62) CTSLCTSBCTSSCTSKREN
SCHEMBL1026994 0.73 CTSL (0.62) CTSLCTSBCTSSCTSKREN
SCHEMBL1026997 0.73 CTSL (0.62) CTSLCTSBCTSSCTSKREN

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
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 CTSL 18/4885CTSB 11/4885CTSS 9/4885

“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.