SCHEMBL4452516

SCHEMBL4452516

CCCC(NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC2OCC(=O)C21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.60
CTSL P07711 5/20 0.60
CTSV O60911 4/20 0.60
CTSK P43235 5/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCR1 P32246 2/20 0.47
RAB9A P51151 1/20 0.41
NPC1 O15118 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6799742 0.92 CTSS (0.63) CTSSCTSLCTSVCTSKCCR1
SCHEMBL13677173 0.91 CTSK (0.66) CTSSCTSLCTSVCTSKALDH1A1
SCHEMBL4458869 0.91 CTSK (0.66) CTSSCTSLCTSVCTSKALDH1A1
SCHEMBL4445606 0.91 CTSK (0.66) CTSSCTSLCTSVCTSKALDH1A1
SCHEMBL7152649 0.91 CTSK (0.66) CTSSCTSLCTSVCTSKALDH1A1
SCHEMBL4452764 0.90 CTSS (0.62) CTSSCTSLCTSVCTSKRAB9A
SCHEMBL6804155 0.90 CTSS (0.73) CTSSCTSLCTSVCTSKCCR1
SCHEMBL4456176 0.89 CTSS (0.73) CTSSCTSLCTSVCTSKALDH1A1
SCHEMBL4458911 0.87 CTSS (0.60) CTSSCTSLCTSVCTSKCCR1
SCHEMBL6803800 0.87 CTSS (0.58) CTSSCTSLCTSVCTSKRAB9A

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 39/4885CTSL 23/4885CTSV 27/4885
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 CTSS 21/4885CTSL 16/4885CTSV 18/4885

“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.