SCHEMBL7473976

SCHEMBL7473976

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 13/20 0.49
▸ CTSS P25774 7/20 0.49
▸ CTSB P07858 4/20 0.49
▸ CTSK P43235 8/20 0.43
▸ CNR2 P34972 2/20 0.41
▸ CTSV O60911 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL7467318 0.92 CTSL (0.53) CTSLCTSSCTSBCTSKCNR2
SCHEMBL6927425 0.91 CTSL (0.55) CTSLCTSSCTSBCTSKCNR2
SCHEMBL7462272 0.90 CTSL (0.50) CTSLCTSSCTSBCTSKCNR2
SCHEMBL7467469 0.90 CTSL (0.47) CTSLCTSSCTSBCTSKCNR2
SCHEMBL7470718 0.89 CTSL (0.51) CTSLCTSSCTSBCTSKCNR2
SCHEMBL6927525 0.89 CTSL (0.49) CTSLCTSSCTSBCTSKCNR2
SCHEMBL7473345 0.88 TAS1R3 (0.54) CTSLCTSSCTSBCTSKCNR2
SCHEMBL7466927 0.88 CTSL (0.48) CTSLCTSSCTSBCTSK
SCHEMBL7463889 0.87 CTSL (0.49) CTSLCTSSCTSBCTSKCNR2
SCHEMBL7462366 0.87 CTSS (0.53) CTSLCTSSCTSBCTSKCTSV

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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