SCHEMBL5870432

SCHEMBL5870432

CC(C)CC(OCc1ccc(-c2cccs2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.53
PPARG P37231 4/20 0.53
LTA4H P09960 1/20 0.43
PSMB5 P28074 2/20 0.42
FFAR1 O14842 2/20 0.42
GPR88 Q9GZN0 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HPGDS O60760 1/20 0.39

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
SCHEMBL5870279 0.83 PPARG (0.55) PPARAPPARGPSMB5
SCHEMBL4043400 0.79 PSMB5 (0.56) PPARAPPARGPSMB5
SCHEMBL4043403 0.79 PSMB5 (0.56) PPARAPPARGPSMB5
SCHEMBL7541726 0.76 PPARG (0.63) PPARAPPARGPSMB5
SCHEMBL4704738 0.76 MME (0.47) PPARAPPARGPSMB5FFAR1
SCHEMBL7541731 0.76 PPARG (0.63) PPARAPPARGPSMB5
SCHEMBL5870584 0.75 PPARG (0.44) PPARAPPARGLTA4HPSMB5FFAR1
SCHEMBL5870622 0.75 PPARG (0.44) PPARAPPARGLTA4HPSMB5FFAR1
SCHEMBL5870215 0.75 PSEN1 (0.48) PPARAPPARGFFAR1
SCHEMBL7545793 0.74 LDHA (0.53) PPARAPPARGFFAR1HDAC1HDAC3

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 4463/4885LTA4H 1316/4885

“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.