Sugi Predict

Sugi Predict / Compounds / SCHEMBL5529709

SCHEMBL5529709

SCHEMBL5529709

CC(C)(C)OC(=O)N1CCN(C(=O)N(CCC2CCCCC2)C(=O)NCC#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.43
▸ CTSS P25774 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CTSB P07858 3/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLS O94925 2/20 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
SCHEMBL6874659 0.86 CTSK (0.40) CTSKCTSSALDH1A1CTSBCTSL
SCHEMBL5533909 0.82 CTSK (0.50) CTSKCTSSALDH1A1MAPTMEN1
SCHEMBL6873764 0.76 CTSB (0.45) CTSKCTSSEPHX1CTSBCTSL
SCHEMBL5526083 0.73 CTSK (0.45) CTSKCTSSCTSBCTSL
SCHEMBL5517734 0.71 CTSK (0.45) CTSKCTSSALDH1A1KMT2ACTSB
SCHEMBL5534174 0.70 CTSK (0.40) CTSKCTSSEPHX1CTSBCTSL
SCHEMBL29295427 0.70 MEN1 (0.65) CTSKCTSSALDH1A1MAPTMEN1
SCHEMBL5527653 0.69 KDM5A (0.47) CTSKCTSSALDH1A1EPHX1HPGD
SCHEMBL5529717 0.69 CTSS (0.46) CTSKCTSSALDH1A1MAPTMEN1
SCHEMBL8902690 0.68 HPGD (0.54) ALDH1A1MAPTMEN1KMT2AEPHX1

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 5 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

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 CTSK 32/4885CTSS 10/4885ALDH1A1 4049/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885ALDH1A1 4049/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885ALDH1A1 4049/4885

“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.