SCHEMBL4449263

SCHEMBL4449263

O=C1COC2CCCN(C(=O)C(CC3CCCCC3)S(=O)(=O)Cc3ccco3)C12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.49
CTSV O60911 4/20 0.49
CTSL P07711 3/20 0.49
CTSK P43235 4/20 0.42
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 6/20 0.34
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
GCK P35557 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL13677386 1.00 CTSS (0.49) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677361 1.00 CTSS (0.49) CTSSCTSVCTSLCTSKTDP1
SCHEMBL4449426 0.96 CTSS (0.54) CTSSCTSVCTSLCTSKTDP1
SCHEMBL4452957 0.96 CTSS (0.54) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677286 0.96 CTSS (0.54) CTSSCTSVCTSLCTSKTDP1
SCHEMBL4457836 0.86 CTSS (0.49) CTSSCTSVCTSLCTSKALDH1A1
SCHEMBL4452935 0.82 CTSS (0.51) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677357 0.82 CTSS (0.51) CTSSCTSVCTSLCTSKTDP1
SCHEMBL13677390 0.82 CTSS (0.51) CTSSCTSVCTSLCTSKTDP1
SCHEMBL4459010 0.81 CTSS (0.54) CTSSCTSVCTSLCTSKALDH1A1

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 6 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
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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 (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.