SCHEMBL7137945

SCHEMBL7137945

O=C(CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.63
▸ CTSB P07858 3/20 0.63
▸ CTSS P25774 2/20 0.63
▸ CTSK P43235 1/20 0.63
▸ HDAC8 Q9BY41 3/20 0.60
▸ TACR1 P25103 2/20 0.58
▸ CASP1 P29466 1/20 0.55
▸ ITGB3 P05106 3/20 0.53
▸ ITGA2B P08514 3/20 0.53

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
SCHEMBL7139390 0.88 CTSK (0.66) CTSLCTSBCTSSCTSK
SCHEMBL8823902 0.84 CTSK (0.68) CTSLCTSBCTSSCTSK
SCHEMBL7314524 0.84 CTSL (0.73) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9557048 0.84 CTSL (0.73) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7360694 0.84 CTSS (0.63) CTSLCTSBCTSSCTSKHDAC8
SCHEMBL8335400 0.83 CTSL (0.71) CTSLCTSBCTSSCTSKTACR1
SCHEMBL8823896 0.83 CTSK (0.66) CTSLCTSBCTSSCTSK
SCHEMBL10521480 0.82 CTSL (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL31207208 0.82 CTSL (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL5934832 0.82 CTSK (0.70) CTSLCTSBCTSSCTSK

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 6 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
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
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 CTSL 14/4885CTSB 11/4885CTSS 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.

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