SCHEMBL5525875

SCHEMBL5525875

N#CCNC(=O)C(CNC(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.55
CTSS P25774 13/20 0.55
CTSK P43235 6/20 0.55
CTSB P07858 10/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTSV O60911 2/20 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
SCHEMBL5532541 0.85 CTSS (0.62) CTSLCTSSCTSKCTSBSMN1; SMN2
SCHEMBL5525923 0.82 CTSS (0.61) CTSLCTSSCTSKCTSB
SCHEMBL6061910 0.76 CTSL (0.56) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5524114 0.76 CTSL (0.56) CTSLCTSSCTSKCTSBSMN1; SMN2
SCHEMBL2863808 0.76 GAA (0.61) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL5517758 0.75 CTSK (0.61) CTSLCTSSCTSKCTSBSMN1; SMN2
SCHEMBL6447899 0.75 CTSL (0.54) CTSLCTSSCTSKCTSBSMN1; SMN2
SCHEMBL6062939 0.75 CTSS (0.57) CTSLCTSSCTSKCTSB
SCHEMBL5525872 0.74 CTSL (0.71) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4699259 0.74 CTSK (0.60) CTSLCTSSCTSKCTSB

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