SCHEMBL7070923

SCHEMBL7070923

CCCCC(N)C(=O)NC1(C#N)CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.46
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
CTSL P07711 1/20 0.42
DPP7 Q9UHL4 5/20 0.41
SLC15A1 P46059 1/20 0.41
CTSC P53634 3/20 0.41
DPP4 P27487 4/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 4/20 0.39
METAP1 P53582 1/20 0.38
USP2 O75604 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
SCHEMBL4834550 0.83 CTSS (0.63) CTSSCTSBCTSKCTSLCTSC
SCHEMBL4835668 0.83 CTSS (0.63) CTSSCTSBCTSKCTSLCTSC
SCHEMBL7074908 0.82 CTSS (0.46) CTSSCTSBCTSKCTSLCTSC
SCHEMBL5368724 0.81 CTSS (0.53) CTSSCTSBCTSKCTSLCTSC
SCHEMBL11889690 0.80 CTSS (0.55) CTSSCTSBCTSKCTSLCTSC
Hydrochloric Acid SCHEMBL6095937 0.80 CTSS (0.52) CTSSCTSBCTSKCTSLCTSC
SCHEMBL11889813 0.79 CTSS (0.62) CTSSCTSBCTSKCTSLCTSC
SCHEMBL7072668 0.77 CTSS (0.41) CTSSCTSBCTSKCTSLCTSC
SCHEMBL4840219 0.77 CTSS (0.43) CTSSCTSBCTSKCTSLCTSC
SCHEMBL5356456 0.77 CTSS (0.62) CTSSCTSBCTSKCTSL

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 CTSS 1/4885CTSB 3/4885CTSK 2/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSB 3/4885CTSK 2/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSB 3/4885CTSK 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.