SCHEMBL5870529

SCHEMBL5870529

CC1OCC(=O)C1NC(=O)C(Cc1ccc(O)cc1)OCc1ccc(-c2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CDK2 P24941 1/20 0.36
SRC P12931 1/20 0.35
NAAA Q02083 1/20 0.34
PSMB5 P28074 1/20 0.34
P2RX3 P56373 2/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL5870569 0.87 NAAA (0.46) NAAAPSMB5
SCHEMBL5870248 0.86 PSMB5 (0.43) NAAAPSMB5
SCHEMBL5870628 0.84 GRIA2 (0.35) PPARAPPARGHDAC1HDAC6CDK2
SCHEMBL5870546 0.84 HDAC1 (0.37) PPARAPPARGHDAC1HDAC6CDK2
SCHEMBL5870423 0.84 NAAA (0.47) PPARAPPARGNAAAPSMB5
SCHEMBL5870460 0.83 ME2 (0.36) PPARAPPARGPSMB5
SCHEMBL5870437 0.82 PSMB5 (0.46) NAAAPSMB5
SCHEMBL5870448 0.82 NAAA (0.37) PPARAPPARGNAAAPSMB5
SCHEMBL5870399 0.79 PSMB5 (0.47) PSMB5
SCHEMBL5870562 0.79 PPARG (0.42) PPARAPPARGNAAAPSMB5

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 PPARA 4641/4885PPARG 4463/4885HDAC1 993/4885

“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.