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SCHEMBL5533906

SCHEMBL5533906

CN(C#N)C(=O)N(CCC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.40
▸ CTSL P07711 4/20 0.39
▸ CTSB P07858 4/20 0.39
▸ CTSH P09668 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSD P07339 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MMP3 P08254 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
SCHEMBL6873766 0.82 CTSL (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL5534173 0.81 CTSK (0.38) CTSKCTSLCTSBCTSHALDH1A1
SCHEMBL5526081 0.81 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL5533909 0.80 CTSK (0.50) CTSKCTSLCTSBCTSHCTSS
SCHEMBL5528477 0.77 CTSL (0.49) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL5517729 0.77 CTSS (0.37) CTSKCTSLCTSBCTSHCTSS
SCHEMBL3811579 0.76 CPB2 (0.41) CTSKCPB2SIGMAR1HTR2CSLC6A4
SCHEMBL27374399 0.75 HTR2C (0.37) ALDH1A1KMT2ASIGMAR1HTR2CSLC6A4
SCHEMBL5527651 0.74 KDM5A (0.46) CTSKCTSLCTSBCTSHMEN1
SCHEMBL5525348 0.74 CASR (0.43) MEN1ALDH1A1MAPTKMT2AHTR2C

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 14/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSB 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.