SCHEMBL7139390

SCHEMBL7139390

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)COc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 18/20 0.66
▸ CTSS P25774 8/20 0.66
▸ CTSL P07711 3/20 0.66
▸ CTSB P07858 1/20 0.66
▸ CAPN1 P07384 1/20 0.58
▸ CAPN2 P17655 1/20 0.58

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
SCHEMBL8823902 0.96 CTSK (0.68) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823896 0.94 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934709 0.90 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7137945 0.88 CTSL (0.63) CTSKCTSSCTSLCTSB
SCHEMBL4669748 0.88 CTSK (0.73) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934832 0.86 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL5934902 0.86 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7402633 0.85 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7411658 0.85 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL11361534 0.85 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1

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 4 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
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 — — EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — WO 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 9/4885CTSL 14/4885

“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.

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