SCHEMBL5870546

SCHEMBL5870546

CC1OCC(=O)C1NC(=O)C(Cc1ccc(O)cc1)SCc1ccc(-c2cccs2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CDK2 P24941 1/20 0.35
SRC P12931 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HPGDS O60760 1/20 0.33
P2RX3 P56373 2/20 0.31
DRD4 P21917 4/20 0.31
DRD2 P14416 3/20 0.31
HTR2A P28223 2/20 0.31
ADAM17 P78536 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL5870406 0.88 NAAA (0.41) CTSSCTSK
SCHEMBL5870529 0.84 PPARA (0.39) HDAC1HDAC6CDK2SRCPPARG
SCHEMBL5870628 0.83 GRIA2 (0.35) HDAC1HDAC6CDK2SRCPPARG
SCHEMBL6962186 0.79 OPRD1 (0.37)
SCHEMBL5870421 0.77 CTSK (0.35) CTSK
SCHEMBL5870275 0.71 CTSC (0.43) ADAM17CTSLCTSSCTSK
SCHEMBL5870300 0.70 NAAA (0.41) CTSLCTSSCTSK
SCHEMBL5870549 0.67 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL5870460 0.66 ME2 (0.36) PPARGPPARACTSLCTSK
SCHEMBL5870399 0.66 PSMB5 (0.47) CTSSCTSK

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-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 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 (1 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 HDAC1 993/4885HDAC6 1175/4885CDK2 1138/4885

“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.