Sugi Predict

Sugi Predict / Compounds / SCHEMBL5523564

SCHEMBL5523564

SCHEMBL5523564

CS(=O)(=O)NC(CC(=O)NCC#N)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.39
▸ CTSL P07711 4/20 0.38
▸ PLAU P00749 1/20 0.38
▸ HPN P05981 1/20 0.38
▸ CTSB P07858 6/20 0.36
▸ CTSS P25774 6/20 0.36
▸ DPP4 P27487 1/20 0.33
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ EPHX1 P07099 1/20 0.31

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
SCHEMBL5522163 0.85 CTSL (0.38) CTSKCTSLPLAUHPNCTSB
SCHEMBL5523195 0.78 CTSK (0.42) CTSKCTSLCTSBCTSSDPP4
SCHEMBL5528435 0.77 EPHX1 (0.47) CTSLEPHX1
SCHEMBL5523597 0.75 CTSK (0.40) CTSKCTSLCTSBCTSSDPP4
SCHEMBL5523563 0.74 CTSK (0.39) CTSKCTSLCTSBCTSSDPP4
SCHEMBL5528503 0.74 ALDH1A1 (0.42) CTSKCTSLCTSBCTSSDPP4
SCHEMBL5518398 0.73 PPARG (0.43) CTSKCTSLPLAUHPNCTSB
SCHEMBL3621517 0.72 CTSK (0.39) CTSKCTSLPLAUHPNCTSB
SCHEMBL3618170 0.72 CTSK (0.41) CTSKCTSLCTSBCTSSPOLB
SCHEMBL5530341 0.72 EPHX1 (0.51) EPHX1

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 CTSK 32/4885CTSL 14/4885PLAU 134/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885PLAU 134/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885PLAU 134/4885

“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.