SCHEMBL5534339

SCHEMBL5534339

N#CCNC(=O)C(CSCc1ccccc1)NC(=O)c1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.50
CTSS P25774 10/20 0.50
CTSL P07711 10/20 0.50
CTSB P07858 10/20 0.50
PADI4 Q9UM07 1/20 0.50
PADI2 Q9Y2J8 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
CTSV O60911 3/20 0.46

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
SCHEMBL5534342 1.00 CTSK (0.50) CTSKCTSSCTSLCTSBPADI4
SCHEMBL5526527 0.86 CTSB (0.62) CTSKCTSSCTSLCTSBCTSV
SCHEMBL5526529 0.86 CTSB (0.62) CTSKCTSSCTSLCTSBCTSV
SCHEMBL5524111 0.83 CTSL (0.71) CTSKCTSSCTSLCTSBCTSV
SCHEMBL5524107 0.83 CTSL (0.71) CTSKCTSSCTSLCTSBCTSV
SCHEMBL5532192 0.82 CTSB (0.73) CTSKCTSSCTSLCTSBCTSV
SCHEMBL5532195 0.82 CTSB (0.73) CTSKCTSSCTSLCTSBCTSV
SCHEMBL14283702 0.81 TAS1R3 (0.68) CTSKCTSSCTSLCTSBTAS1R3
SCHEMBL5534344 0.81 CTSK (0.48) CTSKCTSSCTSLCTSBPADI4
SCHEMBL5525937 0.81 CTSL (0.67) CTSKCTSSCTSLCTSBCTSV

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

“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.