SCHEMBL7462346

SCHEMBL7462346

CC(C)C[C@H](NC(=O)c1cccc2ccccc12)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.47
▸ CTSL P07711 6/20 0.46
▸ CTSS P25774 5/20 0.46
▸ CTSB P07858 4/20 0.46
▸ CASP1 P29466 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CTSV O60911 2/20 0.42
▸ FNTA P49354 3/20 0.41
▸ FNTB P49356 3/20 0.41
▸ PGGT1B P53609 3/20 0.41
▸ CNR2 P34972 2/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ SCN9A Q15858 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
SCHEMBL6664972 0.90 CTSK (0.43) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7464820 0.89 CTSL (0.47) CTSKCTSLCTSSCTSBATM
SCHEMBL7463889 0.88 CTSL (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7462272 0.87 CTSL (0.50) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6927425 0.87 CTSL (0.55) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7468998 0.86 CTSK (0.65) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7467469 0.85 CTSL (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7467592 0.85 TAS1R3 (0.49) CTSKCTSLCTSSCTSBCNR2
SCHEMBL7473345 0.85 TAS1R3 (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6623442 0.85 CTSS (0.51) CTSKCTSLCTSSCTSB

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 10 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-1242404-A1 PHENOXYPROPANOLAMINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2002-09-25 — — EP disclosed
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
WO-2001044227-A1 PHENOXYPROPANOLAMINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-06-21 — — WO 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 CTSK 22/4885CTSL 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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