SCHEMBL7074645

SCHEMBL7074645

CC(C)(C)CC(N)C(=O)NC1(C#N)CC(=O)N(c2ccccc2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.41
CTSS P25774 8/20 0.40
CTSB P07858 6/20 0.40
CTSK P43235 6/20 0.40
CTSL P07711 10/20 0.39
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36

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
SCHEMBL5368741 0.83 CTSC (0.46) CTSCCTSSCTSBCTSKCTSL
SCHEMBL5357981 0.81 CTSC (0.37) CTSCCTSSCTSBCTSKCTSL
SCHEMBL7070903 0.80 CTSS (0.43) CTSCCTSSCTSBCTSKCTSL
SCHEMBL6107075 0.79 CTSS (0.56) CTSSCTSBCTSKCTSL
SCHEMBL7075378 0.78 CTSS (0.39) CTSCCTSSCTSBCTSKCTSL
SCHEMBL5356445 0.77 CTSK (0.49) CTSCCTSSCTSBCTSKCTSL
SCHEMBL5364964 0.77 USP2 (0.47) CTSCCTSSCTSBCTSKCTSL
SCHEMBL5362289 0.77 CTSK (0.46) CTSCCTSSCTSBCTSKCTSL
SCHEMBL5358029 0.77 CTSS (0.49) CTSCCTSSCTSBCTSKCTSL
SCHEMBL8296697 0.76 CTSC (0.50) CTSCCTSSCTSBCTSKCTSL

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 17/4885CTSS 1/4885CTSB 3/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSC 17/4885CTSS 1/4885CTSB 3/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSC 17/4885CTSS 1/4885CTSB 3/4885

“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.