SCHEMBL7464381

SCHEMBL7464381

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.47
▸ CTSB P07858 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ ROCK2 O75116 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTAFR P25105 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CTSV O60911 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ F2 P00734 1/20 0.38

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
SCHEMBL7466927 0.89 CTSL (0.48) CTSLCTSBCTSSNPSR1MEN1
SCHEMBL7471992 0.89 CTSL (0.49) CTSLCTSBCTSSCTSVPADI6
SCHEMBL7464299 0.88 CTSS (0.51) CTSLCTSBCTSSKMT2ACTSV
SCHEMBL7469098 0.85 CTSS (0.45) CTSLCTSBCTSSCTSVPADI6
SCHEMBL7462038 0.82 CTSL (0.54) CTSLCTSBCTSSHDAC1
SCHEMBL7463738 0.82 TAS1R3 (0.45) CTSLCTSBCTSSNPSR1MEN1
SCHEMBL6923719 0.81 CTSL (0.55) CTSLCTSBCTSSKMT2AROCK2
SCHEMBL6927425 0.79 CTSL (0.55) CTSLCTSBCTSSCTSVCNR2
SCHEMBL7462272 0.78 CTSL (0.50) CTSLCTSBCTSSTAS1R3TAS1R1
SCHEMBL7456009 0.77 CTSL (0.47) CTSLCTSBCTSSHDAC1

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 4/4885CTSB 13/4885CTSS 10/4885

“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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