SCHEMBL4449170

SCHEMBL4449170

O=C(CCc1ccccc1)N[C@@H](CSCc1ccccc1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.52
CTSV O60911 4/20 0.52
CTSL P07711 3/20 0.52
CTSK P43235 4/20 0.49
CCR1 P32246 4/20 0.43
CCKBR P32239 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP10 P09238 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL13677230 1.00 CTSS (0.52) CTSSCTSVCTSLCTSKCCR1
SCHEMBL5105252 1.00 CTSS (0.52) CTSSCTSVCTSLCTSKCCR1
SCHEMBL6803752 0.95 CTSS (0.49) CTSSCTSVCTSLCTSKCCR1
SCHEMBL5138910 0.91 CTSS (0.54) CTSSCTSVCTSLCTSKCCR1
SCHEMBL13677210 0.91 CTSS (0.54) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4452900 0.91 CTSS (0.54) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4457823 0.88 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL13677254 0.88 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL7096816 0.88 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1
SCHEMBL4451252 0.88 CTSS (0.58) CTSSCTSVCTSLCTSKCCR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
EP-1362052-B1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2007-03-07 EP disclosed
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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 (2 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSS 39/4885CTSV 27/4885CTSL 23/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSV 18/4885CTSL 16/4885

“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.