SCHEMBL7466927

SCHEMBL7466927

COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)Cc2cccc(-c3ccccn3)c2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.48
▸ CTSS P25774 6/20 0.48
▸ CTSB P07858 1/20 0.48
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CTSK P43235 7/20 0.42
▸ CTSD P07339 5/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ TAS1R3 Q7RTX0 3/20 0.41
▸ TAS1R1 Q7RTX1 3/20 0.41
▸ ADORA3 P0DMS8 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
SCHEMBL7463738 0.91 TAS1R3 (0.45) CTSLCTSSCTSBMEN1CYP1A2
SCHEMBL6927425 0.90 CTSL (0.55) CTSLCTSSCTSBCTSK
SCHEMBL7464381 0.89 CTSL (0.47) CTSLCTSSCTSBMEN1CYP1A2
SCHEMBL7462272 0.88 CTSL (0.50) CTSLCTSSCTSBCTSKTAS1R3
SCHEMBL7473976 0.88 CTSL (0.49) CTSLCTSSCTSBCTSK
SCHEMBL6923642 0.88 CTSL (0.47) CTSLCTSSCTSBCTSKF2
SCHEMBL6927525 0.88 CTSL (0.49) CTSLCTSSCTSBCTSKADORA3
SCHEMBL7467318 0.87 CTSL (0.53) CTSLCTSSCTSBCTSKF2
SCHEMBL7473777 0.87 CTSL (0.53) CTSLCTSSCTSBCTSK
SCHEMBL7462366 0.87 CTSS (0.53) CTSLCTSSCTSBCTSKF2

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 CTSL 4/4885CTSS 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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