SCHEMBL7464745

SCHEMBL7464745

CC(C)C[C@H](NC(=O)c1ccccn1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.71
▸ CTSS P25774 5/20 0.54
▸ CTSB P07858 3/20 0.54
▸ PSMB5 P28074 1/20 0.46
▸ SCN9A Q15858 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ KAT6A Q92794 1/20 0.42
▸ CTSL P07711 4/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL7563718 0.88 CTSK (0.69) CTSKCTSSCTSBCNR2CTSL
SCHEMBL7468216 0.85 CTSK (0.53) CTSKCTSSCTSBPSMB5SCN9A
SCHEMBL7248005 0.85 CTSK (0.59) CTSKCTSSPSMB5SCN9AUSP30
SCHEMBL7530060 0.85 CTSK (0.69) CTSKCTSSCTSBKAT6ACTSL
SCHEMBL6923555 0.83 CTSK (1.00) CTSKCTSSCTSBCTSL
SCHEMBL7160519 0.82 CTSK (0.63) CTSKCTSSCTSBCTSL
SCHEMBL7651598 0.82 CTSK (0.50) CTSKCTSSCTSBPSMB5SCN9A
SCHEMBL10784901 0.80 CTSK (0.56) CTSKCTSSCTSBPSMB5SCN9A
SCHEMBL7560380 0.77 CTSK (0.49) CTSKCTSSCTSBPSMB5SCN9A
SCHEMBL7163603 0.76 CTSK (0.60) CTSKCTSSCTSBCTSLKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CTSK 22/4885CTSS 10/4885CTSB 13/4885

“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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