SCHEMBL7456009

SCHEMBL7456009

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.47
▸ CTSS P25774 4/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSB P07858 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIRT2 Q8IXJ6 6/20 0.41
▸ SIRT1 Q96EB6 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL7462038 0.95 CTSL (0.54) CTSLCTSSCTSBSIRT2SIRT1
SCHEMBL7468905 0.90 CTSK (0.53) CTSLCTSSCTSKCTSB
SCHEMBL7461883 0.88 CTSB (0.43) CTSLCTSSCTSKCTSBHDAC1
SCHEMBL7466038 0.88 CTSS (0.43) CTSLCTSSCTSKCTSBHDAC1
SCHEMBL7615379 0.87 CA1 (0.47) CTSLCTSSCTSKCTSB
SCHEMBL7468803 0.87 CTSB (0.53) CTSLCTSSCTSKCTSB
SCHEMBL7473368 0.79 CTSK (0.52) CTSLCTSSCTSKCTSB
SCHEMBL6620714 0.79 CTSK (0.60) CTSLCTSSCTSKCTSB
SCHEMBL7816127 0.78 CTSL (0.44) CTSLCTSSCTSKCTSB
SCHEMBL7608375 0.78 CTSL (0.44) CTSLCTSSCTSKCTSB

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 10/4885CTSK 22/4885

“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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