SCHEMBL7469098

SCHEMBL7469098

CCCC[C@H](NC(=O)c1ccc2sccc2c1)C(=O)NCC(=O)CNC(=O)Cc1cccc(-c2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.45
▸ CTSL P07711 5/20 0.45
▸ CTSB P07858 3/20 0.45
▸ CTSV O60911 4/20 0.37
▸ HSPA5 P11021 1/20 0.36
▸ CTNNB1 P35222 2/20 0.36
▸ WNT3A P56704 2/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ CAPN1 P07384 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PADI6 Q6TGC4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7471992 0.90 CTSL (0.49) CTSSCTSLCTSBCTSVPIN1
SCHEMBL7464299 0.86 CTSS (0.51) CTSSCTSLCTSBCTSVGRIN1
SCHEMBL7464381 0.85 CTSL (0.47) CTSSCTSLCTSBCTSVPADI6
SCHEMBL7462038 0.79 CTSL (0.54) CTSSCTSLCTSB
SCHEMBL7462272 0.79 CTSL (0.50) CTSSCTSLCTSBCTSVPIN1
SCHEMBL7461611 0.77 CTSL (0.47) CTSSCTSLCTSBCTSVCTSK
SCHEMBL7473345 0.77 TAS1R3 (0.54) CTSSCTSLCTSBCTSVCTSK
SCHEMBL6927425 0.77 CTSL (0.55) CTSSCTSLCTSBCTSVCTSK
SCHEMBL6927525 0.77 CTSL (0.49) CTSSCTSLCTSBCTSVCTSK
SCHEMBL7467137 0.76 TAS1R3 (0.49) CTSSCTSLCTSBCTSVCTNNB1

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 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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