SCHEMBL7471992

SCHEMBL7471992

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.49
▸ CTSB P07858 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CCKBR P32239 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ PIN1 Q13526 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PADI6 Q6TGC4 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PADI4 Q9UM07 1/20 0.37
▸ PADI2 Q9Y2J8 1/20 0.37
▸ ELANE P08246 1/20 0.37

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
SCHEMBL7464299 0.90 CTSS (0.51) CTSLCTSBCTSSCTSVGRIN1
SCHEMBL7469098 0.90 CTSS (0.45) CTSLCTSBCTSSCTSVPIN1
SCHEMBL7462272 0.89 CTSL (0.50) CTSLCTSBCTSSCTSVPIN1
SCHEMBL7464381 0.89 CTSL (0.47) CTSLCTSBCTSSCTSVPADI6
SCHEMBL7462038 0.83 CTSL (0.54) CTSLCTSBCTSSSIRT2
SCHEMBL7473345 0.82 TAS1R3 (0.54) CTSLCTSBCTSSCTSVCTSK
SCHEMBL6927425 0.80 CTSL (0.55) CTSLCTSBCTSSCTSVCTSK
SCHEMBL7467137 0.79 TAS1R3 (0.49) CTSLCTSBCTSSCTSVCTSK
SCHEMBL7473976 0.79 CTSL (0.49) CTSLCTSBCTSSCTSVCTSK
SCHEMBL6927525 0.79 CTSL (0.49) CTSLCTSBCTSSCTSVCTSK

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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