Sugi Predict

Sugi Predict / Compounds / SCHEMBL5522964

SCHEMBL5522964

SCHEMBL5522964

N#CCNC(=O)C(CC1CCCCC1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 11/20 0.81
▸ CTSS P25774 11/20 0.81
▸ CTSB P07858 7/20 0.81
▸ CTSK P43235 6/20 0.81
▸ GRN P28799 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ CHRNB2 P17787 2/20 0.52
▸ CHRNB4 P30926 2/20 0.52
▸ CHRNA3 P32297 2/20 0.52
▸ CHRNA4 P43681 2/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ GRM1 Q13255 1/20 0.52
▸ CTSV O60911 2/20 0.51

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
SCHEMBL5520437 0.91 CTSL (0.85) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5518266 0.91 CTSL (0.85) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5522179 0.90 CTSL (0.83) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5521614 0.90 CTSL (0.83) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5525339 0.90 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL6875796 0.90 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL6867271 0.90 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5530445 0.90 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5525762 0.89 CTSL (1.00) CTSLCTSSCTSBCTSKCHRNB2
SCHEMBL5534163 0.89 CTSL (0.81) CTSLCTSSCTSBCTSKCHRNB2

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 7 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
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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 — — EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — 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 (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 CTSL 14/4885CTSS 10/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885

“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.