SCHEMBL4452806

SCHEMBL4452806

O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2OCC(=O)C21)c1cncc(-c2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.46
CTSL P07711 5/20 0.46
CTSV O60911 4/20 0.46
CTSK P43235 7/20 0.45
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
HTR2A P28223 3/20 0.40
HCK P08631 1/20 0.38
NR2C2 P49116 1/20 0.38
BTK Q06187 1/20 0.38
EPHA2 P29317 1/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGDS O60760 1/20 0.34

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
SCHEMBL4454201 0.93 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4444574 0.91 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4449536 0.91 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2
SCHEMBL13677166 0.91 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4453053 0.91 CTSS (0.53) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4449861 0.91 CTSS (0.49) CTSSCTSLCTSVCTSKHCK
SCHEMBL4449169 0.91 CTSS (0.51) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4459125 0.90 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4451849 0.90 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2
SCHEMBL4451595 0.90 CTSS (0.48) CTSSCTSLCTSVCTSKDRD2

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.