SCHEMBL7466038

SCHEMBL7466038

C=CCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.43
▸ CTSL P07711 6/20 0.43
▸ CTSB P07858 6/20 0.43
▸ CTSK P43235 2/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ TGM2 P21980 2/20 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
SCHEMBL7456009 0.88 CTSL (0.47) CTSSCTSLCTSBCTSKHDAC1
SCHEMBL7468905 0.88 CTSK (0.53) CTSSCTSLCTSBCTSK
SCHEMBL7461883 0.87 CTSB (0.43) CTSSCTSLCTSBCTSKHDAC1
SCHEMBL7462038 0.86 CTSL (0.54) CTSSCTSLCTSBHDAC1
SCHEMBL7615379 0.85 CA1 (0.47) CTSSCTSLCTSBCTSKFFAR1
SCHEMBL7468803 0.83 CTSB (0.53) CTSSCTSLCTSBCTSK
SCHEMBL7473368 0.77 CTSK (0.52) CTSSCTSLCTSBCTSK
SCHEMBL6620714 0.76 CTSK (0.60) CTSSCTSLCTSBCTSK
SCHEMBL7816127 0.76 CTSL (0.44) CTSSCTSLCTSBCTSKFFAR1
SCHEMBL7608375 0.76 CTSL (0.44) CTSSCTSLCTSBCTSKFFAR1

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 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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