SCHEMBL5870622

SCHEMBL5870622

CC(C)CC(C(=O)O)S(=O)(=O)Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
PSMB5 P28074 2/20 0.43
LTA4H P09960 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
FFAR1 O14842 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP2 P08253 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC1 Q13547 4/20 0.41
GPR88 Q9GZN0 1/20 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
HDAC3 O15379 1/20 0.38

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
SCHEMBL5870608 0.83 MME (0.48) MMP2
SCHEMBL5870432 0.75 PPARA (0.53) PPARGPPARAPSMB5LTA4HFFAR1
SCHEMBL5870584 0.75 PPARG (0.44) PPARGPPARAPSMB5LTA4HCTSB
SCHEMBL5870323 0.74 GRIA4 (0.42)
SCHEMBL14210015 0.72 PPARG (0.62) PPARGPPARALTA4HFFAR1HDAC1
SCHEMBL27479217 0.70 MMP2 (0.49) PPARGPPARACTSBCTSSFFAR1
SCHEMBL5018819 0.70 LTA4H (0.61) PPARGPPARAPSMB5LTA4HFFAR1
SCHEMBL11501468 0.69 PTGS2 (0.61) PPARGPPARAFFAR1HDAC1HDAC3
SCHEMBL7609597 0.69 PPARG (0.58) PPARGPPARALTA4HFFAR1HDAC1
SCHEMBL6170897 0.69 PPARG (0.58) PPARGPPARALTA4HFFAR1HDAC1

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 PPARG 4463/4885PPARA 4641/4885PSMB5 180/4885

“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.