SCHEMBL7461883

SCHEMBL7461883

O=C(CNC(=O)Cc1cccc(-c2ccccn2)c1)CNC(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 8/20 0.43
▸ CTSL P07711 7/20 0.43
▸ CTSS P25774 7/20 0.43
▸ CTSK P43235 4/20 0.41
▸ HDAC1 Q13547 3/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL7468905 0.88 CTSK (0.53) CTSBCTSLCTSSCTSK
SCHEMBL7456009 0.88 CTSL (0.47) CTSBCTSLCTSSCTSKHDAC1
SCHEMBL7466038 0.87 CTSS (0.43) CTSBCTSLCTSSCTSKHDAC1
SCHEMBL7462038 0.86 CTSL (0.54) CTSBCTSLCTSSHDAC1
SCHEMBL7615379 0.85 CA1 (0.47) CTSBCTSLCTSSCTSKCASP1
SCHEMBL7468803 0.83 CTSB (0.53) CTSBCTSLCTSSCTSKCYP3A4
SCHEMBL7473368 0.77 CTSK (0.52) CTSBCTSLCTSSCTSK
SCHEMBL6620714 0.76 CTSK (0.60) CTSBCTSLCTSSCTSK
SCHEMBL7816127 0.76 CTSL (0.44) CTSBCTSLCTSSCTSKFFAR1
SCHEMBL7608375 0.76 CTSL (0.44) CTSBCTSLCTSSCTSKFFAR1

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 CTSB 13/4885CTSL 4/4885CTSS 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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