Sugi Predict

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SCHEMBL5526362

SCHEMBL5526362

CCOC(=O)N1CCN(C(=O)N(CCC2CCCCC2)C(=O)NCC#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTSK P43235 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSB P07858 3/20 0.37
▸ CTSS P25774 3/20 0.37
▸ CTSL P07711 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CHRM1 P11229 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ DPP4 P27487 1/20 0.35

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
SCHEMBL5529709 0.88 CTSK (0.43) ALDH1A1L3MBTL1KDM4ECTSKMEN1
SCHEMBL6874659 0.87 CTSK (0.40) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL7598122 0.83 ALDH1A1 (0.45) ALDH1A1THRBATML3MBTL1KDM4E
SCHEMBL6873764 0.76 CTSB (0.45) CTSKCTSBCTSSCTSL
SCHEMBL5526083 0.76 CTSK (0.45) CTSKCTSBCTSSCTSL
SCHEMBL5533909 0.74 CTSK (0.50) ALDH1A1CTSKMEN1KMT2ACTSB
SCHEMBL5534174 0.73 CTSK (0.40) CTSKCTSBCTSSCTSL
SCHEMBL5527653 0.72 KDM5A (0.47) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL5528481 0.69 CTSS (0.47) ALDH1A1CTSKCTSBCTSSCTSL
SCHEMBL6875724 0.69 CTSK (0.52) CTSKCTSBCTSSCTSL

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 ALDH1A1 4049/4885THRB 4729/4885ATM 3200/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 ALDH1A1 4049/4885THRB 4729/4885ATM 3200/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 ALDH1A1 4049/4885THRB 4729/4885ATM 3200/4885

“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.