SCHEMBL7139596

SCHEMBL7139596

CCCCC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)CC)C(=O)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.51
CTSS P25774 3/20 0.46
PPARA Q07869 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CA2 P00918 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL7138103 0.92 CTSS (0.51) CTSKCTSSPPARACTSLCTSB
SCHEMBL7135411 0.88 CTSK (0.63) CTSKCTSSPPARACTSL
SCHEMBL7135516 0.80 CTSS (0.55) CTSKCTSSPPARACTSLCTSB
SCHEMBL7136265 0.79 MEN1 (0.48) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL18257547 0.79 CTSD (0.56) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL23616314 0.79 CTSD (0.56) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL7133774 0.78 CTSS (0.63) CTSKCTSSPPARACTSLCTSB
SCHEMBL8961015 0.78 ACE (0.60) CTSKCTSSCTSLCTSBCA2
SCHEMBL8961019 0.78 ACE (0.60) CTSKCTSSCTSLCTSBCA2
SCHEMBL7137837 0.78 CTSS (0.61) CTSKCTSSPPARACTSLCTSB

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 CTSK 29/4885CTSS 9/4885PPARA 4041/4885

“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.