Sugi Predict

Sugi Predict / Compounds / SCHEMBL5526535

SCHEMBL5526535

SCHEMBL5526535

COCCC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 12/20 0.63
▸ CTSK P43235 7/20 0.63
▸ CTSL P07711 11/20 0.61
▸ CTSB P07858 2/20 0.61
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRM1 Q13255 1/20 0.47
▸ CTSV O60911 2/20 0.40
▸ PPM1D O15297 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40

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
SCHEMBL5527112 0.86 CTSS (0.63) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5528182 0.85 CTSK (0.62) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5527441 0.84 CTSK (0.61) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5530239 0.81 CTSK (0.63) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5523552 0.81 CTSS (0.63) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5523555 0.81 CTSS (0.63) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5526864 0.81 CTSS (0.69) CTSSCTSKCTSLCTSBCHRNB2
SCHEMBL5523004 0.80 CTSK (0.67) CTSSCTSKCTSLCTSBCTSV
SCHEMBL5527644 0.80 CTSS (0.72) CTSSCTSKCTSLCTSB
SCHEMBL5529195 0.79 CTSS (0.66) CTSSCTSKCTSLCTSBCHRNB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 — — EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — US 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSL 14/4885

“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.