SCHEMBL7462366

SCHEMBL7462366

CC(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.53
▸ CTSL P07711 10/20 0.53
▸ CTSB P07858 5/20 0.53
▸ SCN9A Q15858 2/20 0.45
▸ CTSK P43235 9/20 0.44
▸ CTSV O60911 3/20 0.43
▸ DGAT2 Q96PD7 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 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
SCHEMBL7473777 0.95 CTSL (0.53) CTSSCTSLCTSBSCN9ACTSK
SCHEMBL6927425 0.90 CTSL (0.55) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7467318 0.90 CTSL (0.53) CTSSCTSLCTSBSCN9ACTSK
SCHEMBL7462272 0.89 CTSL (0.50) CTSSCTSLCTSBSCN9ACTSK
SCHEMBL7618538 0.89 CTSL (0.47) CTSSCTSLCTSBSCN9ACTSK
SCHEMBL7470718 0.88 CTSL (0.51) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7466927 0.87 CTSL (0.48) CTSSCTSLCTSBCTSKF2
SCHEMBL7473976 0.87 CTSL (0.49) CTSSCTSLCTSBSCN9ACTSK
SCHEMBL6927525 0.87 CTSL (0.49) CTSSCTSLCTSBCTSKCTSV
SCHEMBL7463889 0.86 CTSL (0.49) CTSSCTSLCTSBSCN9ACTSK

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 10 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-1194418-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-04-10 — — EP disclosed
WO-2000078735-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-28 — — WO 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 CTSS 10/4885CTSL 4/4885CTSB 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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