SCHEMBL7078199

SCHEMBL7078199

CCCCCCN1CCC(C#N)(NC(=O)C(N)CC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.40
CTSK P43235 13/20 0.40
CTSB P07858 11/20 0.40
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
CTSC P53634 2/20 0.36
CTSL P07711 2/20 0.36
S1PR4 O95977 1/20 0.34

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
SCHEMBL7076976 0.99 CTSS (0.40) CTSSCTSKCTSBS1PR1S1PR3
SCHEMBL7072668 0.96 CTSS (0.41) CTSSCTSKCTSBCTSCCTSL
SCHEMBL5357550 0.91 CTSS (0.42) CTSSCTSKCTSBCTSCCTSL
SCHEMBL5357510 0.84 CTSS (0.39) CTSSCTSKCTSBCTSC
SCHEMBL5368724 0.84 CTSS (0.53) CTSSCTSKCTSBCTSCCTSL
Hydrochloric Acid SCHEMBL6095937 0.83 CTSS (0.52) CTSSCTSKCTSBCTSCCTSL
SCHEMBL4840267 0.82 CTSS (0.41) CTSSCTSKCTSBCTSCCTSL
SCHEMBL7075630 0.81 CTSS (0.48) CTSSCTSL
SCHEMBL8296697 0.81 CTSC (0.50) CTSSCTSKCTSBCTSCCTSL
SCHEMBL5364139 0.80 CTSK (0.42) CTSSCTSKCTSBCTSCCTSL

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