SCHEMBL7464299

SCHEMBL7464299

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.51
▸ CTSL P07711 9/20 0.51
▸ CTSB P07858 8/20 0.51
▸ CTSV O60911 6/20 0.42
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2A Q12879 2/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37

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
SCHEMBL7471992 0.90 CTSL (0.49) CTSSCTSLCTSBCTSVGRIN1
SCHEMBL7467318 0.89 CTSL (0.53) CTSSCTSLCTSBCTSVCTSK
SCHEMBL7464381 0.88 CTSL (0.47) CTSSCTSLCTSBCTSVKMT2A
SCHEMBL7469098 0.86 CTSS (0.45) CTSSCTSLCTSBCTSVGRIN1
SCHEMBL7462038 0.83 CTSL (0.54) CTSSCTSLCTSB
SCHEMBL7473976 0.81 CTSL (0.49) CTSSCTSLCTSBCTSVCTSK
SCHEMBL7470718 0.81 CTSL (0.51) CTSSCTSLCTSBCTSVCTSK
SCHEMBL6927425 0.79 CTSL (0.55) CTSSCTSLCTSBCTSVCTSK
SCHEMBL7462366 0.79 CTSS (0.53) CTSSCTSLCTSBCTSVCTSK
SCHEMBL7462272 0.78 CTSL (0.50) CTSSCTSLCTSBCTSVCTSK

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 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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