SCHEMBL7137259

SCHEMBL7137259

CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCc1ccccc1)C(=O)CO

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.57
REN P00797 10/20 0.52
CTSS P25774 3/20 0.52
CTSK P43235 2/20 0.52
CTSL P07711 3/20 0.51
CTSB P07858 2/20 0.51
KMT2A Q03164 1/20 0.49
ACE P12821 1/20 0.47

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
SCHEMBL18257575 0.90 CTSD (0.57) CTSDRENCTSSCTSKCTSL
SCHEMBL18257544 0.90 CTSD (0.57) CTSDRENCTSSCTSKCTSL
SCHEMBL18257559 0.88 CTSD (0.56) CTSDRENCTSSCTSKCTSL
SCHEMBL18257555 0.88 CTSD (0.56) CTSDRENCTSSCTSKCTSL
SCHEMBL7139684 0.85 CTSS (0.49) CTSDRENCTSSCTSKCTSL
SCHEMBL7137824 0.84 CTSK (0.48) CTSDRENCTSSCTSKCTSL
SCHEMBL7138103 0.83 CTSS (0.51) CTSDRENCTSSCTSKCTSL
SCHEMBL7139680 0.83 CTSS (0.43) CTSDRENCTSSCTSKCTSL
SCHEMBL7139828 0.82 CTSK (0.46) CTSDRENCTSSCTSKKMT2A
SCHEMBL29612215 0.82 CTSD (0.61) CTSDRENCTSSCTSKCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL CTSD 18/4885REN 136/4885CTSS 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.