SCHEMBL5522068

SCHEMBL5522068

N#CCNC(=O)C(CC1CCCCC1)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.68
CTSL P07711 7/20 0.68
CTSS P25774 7/20 0.68
CTSB P07858 3/20 0.68
KLKB1 P03952 1/20 0.52
CTSV O60911 2/20 0.49
MMP1 P03956 2/20 0.49
FCER2 P06734 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BCHE P06276 1/20 0.47

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
SCHEMBL5520634 0.84 CTSK (0.60) CTSKCTSLCTSSCTSBKLKB1
SCHEMBL23004918 0.82 LTA4H (0.55) CTSKCTSLCTSSCTSBKLKB1
SCHEMBL11896295 0.82 LTA4H (0.55) CTSKCTSLCTSSCTSBKLKB1
SCHEMBL11896293 0.82 LTA4H (0.55) CTSKCTSLCTSSCTSBKLKB1
SCHEMBL5522921 0.81 CTSL (0.68) CTSKCTSLCTSSCTSBMMP1
SCHEMBL5525339 0.81 CTSL (1.00) CTSKCTSLCTSSCTSB
SCHEMBL5530445 0.81 CTSL (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6875796 0.81 CTSL (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6867271 0.81 CTSL (1.00) CTSKCTSLCTSSCTSB
SCHEMBL23023028 0.80 KLKB1 (0.51) CTSKCTSLCTSSCTSBKLKB1

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 14/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSS 10/4885

“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.