SCHEMBL7462038

SCHEMBL7462038

CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.54
▸ CTSS P25774 2/20 0.54
▸ SIRT2 Q8IXJ6 14/20 0.45
▸ SIRT1 Q96EB6 10/20 0.45
▸ SIRT3 Q9NTG7 6/20 0.44
▸ CTSB P07858 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ TLR2 O60603 1/20 0.43

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
SCHEMBL7456009 0.95 CTSL (0.47) CTSLCTSSSIRT2SIRT1CTSB
SCHEMBL7468905 0.89 CTSK (0.53) CTSLCTSSCTSB
SCHEMBL7461883 0.86 CTSB (0.43) CTSLCTSSCTSBHDAC1
SCHEMBL7466038 0.86 CTSS (0.43) CTSLCTSSCTSBHDAC1
SCHEMBL7615379 0.86 CA1 (0.47) CTSLCTSSCTSB
SCHEMBL7468803 0.85 CTSB (0.53) CTSLCTSSCTSB
SCHEMBL7464299 0.83 CTSS (0.51) CTSLCTSSCTSB
SCHEMBL7471992 0.83 CTSL (0.49) CTSLCTSSSIRT2CTSB
SCHEMBL7464381 0.82 CTSL (0.47) CTSLCTSSCTSBHDAC1
SCHEMBL7469098 0.79 CTSS (0.45) CTSLCTSSCTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US 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 10/4885SIRT2 2968/4885

“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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