Sugi Predict

Sugi Predict / Compounds / SCHEMBL5527445

SCHEMBL5527445

SCHEMBL5527445

CC(C)CCC(=O)NCC(C(=O)NCC#N)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.41
▸ CTSK P43235 10/20 0.40
▸ CTSD P07339 1/20 0.39
▸ CTSS P25774 11/20 0.37
▸ CTSB P07858 6/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSV O60911 2/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP8 P22894 1/20 0.32

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
SCHEMBL5530243 0.87 CTSL (0.42) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5527113 0.87 ALDH1A1 (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5528189 0.85 CTSL (0.41) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5527654 0.85 CTSL (0.41) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5526541 0.84 CTSL (0.42) CTSLCTSKCTSSCTSBSMN1; SMN2
SCHEMBL5523008 0.83 CTSL (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5526866 0.81 CTSL (0.45) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5528348 0.79 CTSK (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5529196 0.79 CTSK (0.44) CTSLCTSKCTSSCTSBEPHX1
SCHEMBL5526085 0.79 CTSK (0.44) CTSLCTSKCTSSCTSBEPHX1

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 14/4885CTSK 32/4885CTSD 33/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSD 33/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSK 32/4885CTSD 33/4885

“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.