SCHEMBL5520844

SCHEMBL5520844

N#CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.67
CTSL P07711 7/20 0.67
CTSK P43235 6/20 0.67
CTSB P07858 3/20 0.67
PPM1D O15297 2/20 0.50
CTSV O60911 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNA4 P43681 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRM1 Q13255 1/20 0.43
CTSF Q9UBX1 1/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL5528195 0.88 CTSS (0.68) CTSSCTSLCTSKCTSBPPM1D
SCHEMBL5521686 0.88 CTSS (0.67) CTSSCTSLCTSKCTSBPPM1D
SCHEMBL5525926 0.86 CTSS (0.64) CTSSCTSLCTSKCTSBPPM1D
SCHEMBL7590679 0.82 CTSL (0.45) CTSSCTSLCTSKCTSBPPM1D
SCHEMBL5534152 0.82 CTSS (0.71) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5522964 0.82 CTSL (0.81) CTSSCTSLCTSKCTSBCTSV
SCHEMBL5520524 0.81 CTSS (0.66) CTSSCTSLCTSKCTSBPPM1D
SCHEMBL5525362 0.80 CTSL (0.66) CTSSCTSLCTSKCTSBCTSV
SCHEMBL6875796 0.80 CTSL (1.00) CTSSCTSLCTSKCTSBCHRNB2
SCHEMBL6867271 0.80 CTSL (1.00) CTSSCTSLCTSKCTSBCHRNB2

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 8 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
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP 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 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSK 32/4885

“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.