SCHEMBL7138103

SCHEMBL7138103

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCc1ccccc1)C(=O)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
CA2 P00918 2/20 0.48
PPARA Q07869 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
CTSD P07339 4/20 0.44
REN P00797 1/20 0.44
PPARG P37231 1/20 0.43
BACE1 P56817 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL7139596 0.92 CTSK (0.51) CTSSCTSKCA2PPARACTSL
SCHEMBL7136265 0.87 MEN1 (0.48) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL7133774 0.87 CTSS (0.63) CTSSCTSKPPARACTSLCTSB
SCHEMBL7137837 0.87 CTSS (0.61) CTSSCTSKPPARACTSLCTSB
SCHEMBL7139496 0.85 HPGD (0.48) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL7137259 0.83 CTSD (0.57) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL7136919 0.83 MEN1 (0.44) CTSSCTSLCTSBKMT2AMEN1
SCHEMBL7139684 0.81 CTSS (0.49) CTSSCTSKCA2CTSLCTSB
SCHEMBL7796796 0.81 ACE (0.43) CTSSCTSLCTSB
SCHEMBL18257555 0.81 CTSD (0.56) CTSSCTSKCTSLCTSBKMT2A

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 CTSS 9/4885CTSK 29/4885CA2 674/4885

“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.