SCHEMBL7136830

SCHEMBL7136830

CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.59
CTSL P07711 3/20 0.59
CTSB P07858 3/20 0.59
CTSS P25774 2/20 0.59
PSMB5 P28074 5/20 0.46
CASP3 P42574 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 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
SCHEMBL7134280 0.85 CTSB (0.46) CTSKCTSLCTSBCTSSLMNA
SCHEMBL7137827 0.85 CTSL (0.58) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL2735629 0.80 LMNA (0.61) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL22582338 0.79 MMP2 (0.48) CTSBPSMB5CASP3LMNA
SCHEMBL7131875 0.78 CTSS (0.53) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL7435315 0.77 CTSL (0.50) CTSLCTSBPSMB5CASP3
SCHEMBL7435291 0.77 CTSL (0.50) CTSLCTSBPSMB5CASP3
SCHEMBL7048560 0.77 CTSS (0.82) CTSKCTSLCTSBCTSS
SCHEMBL7139836 0.77 PSMB5 (0.49) CTSKCTSLCTSBCTSSPSMB5
SCHEMBL7138668 0.77 CTSS (0.49) CTSKCTSLCTSBCTSSPSMB5

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 29/4885CTSL 14/4885CTSB 11/4885

“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.