SCHEMBL7462272

SCHEMBL7462272

CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.50
▸ CTSB P07858 4/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 7/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ CTSV O60911 1/20 0.41
▸ CCR1 P32246 1/20 0.40
▸ PIN1 Q13526 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL7473345 0.93 TAS1R3 (0.54) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL6927425 0.92 CTSL (0.55) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7467137 0.90 TAS1R3 (0.49) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL7473976 0.90 CTSL (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6927525 0.90 CTSL (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7467318 0.89 CTSL (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7462366 0.89 CTSS (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7471992 0.89 CTSL (0.49) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7473777 0.89 CTSL (0.53) CTSLCTSBCTSSCTSKCTSV
SCHEMBL7466927 0.88 CTSL (0.48) CTSLCTSBCTSSCTSKTAS1R3

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 4/4885CTSB 13/4885CTSS 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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