SCHEMBL7075736

SCHEMBL7075736

CC(C)(C)CC(N)C(=O)NC1(C#N)CNC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.37
CTSL P07711 4/20 0.33
CTSK P43235 10/20 0.32
CTSB P07858 4/20 0.32
CTSS P25774 4/20 0.32
ROCK2 O75116 2/20 0.32
CIT O14578 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
HIPK4 Q8NE63 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
BMP2K Q9NSY1 1/20 0.31

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
SCHEMBL7071443 0.88 CTSC (0.38) CTSCCTSLCTSKCTSBCTSS
SCHEMBL7075604 0.88 CTSC (0.39) CTSCCTSLCTSKCTSBCTSS
SCHEMBL8296697 0.80 CTSC (0.50) CTSCCTSLCTSKCTSBCTSS
SCHEMBL5357981 0.78 CTSC (0.37) CTSCCTSLCTSKCTSBCTSS
SCHEMBL7071056 0.78 CTSS (0.44) CTSCCTSLCTSS
Hydrochloric Acid SCHEMBL5366838 0.76 CTSC (0.42) CTSCCTSLCTSKCTSBCTSS
SCHEMBL7075378 0.75 CTSS (0.39) CTSCCTSLCTSKCTSBCTSS
SCHEMBL6108307 0.75 CTSS (0.51) CTSLCTSKCTSBCTSS
SCHEMBL5365897 0.74 CTSC (0.45) CTSCCTSLCTSKCTSBCTSS
SCHEMBL5361112 0.74 CTSC (0.45) CTSCCTSLCTSKCTSBCTSS

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
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 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 (3 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSC 17/4885CTSL 9/4885CTSK 2/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSC 17/4885CTSL 9/4885CTSK 2/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSC 17/4885CTSL 9/4885CTSK 2/4885

“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.