SCHEMBL5870194

SCHEMBL5870194

CC(C)(C)CC(OCc1ccsc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.56
SLC1A2 P43004 3/20 0.56
SLC1A1 P43005 3/20 0.56
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MME P08473 3/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5870398 0.74 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL5870120 0.74 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL5870380 0.72 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL2139114 0.72 PPARA (0.55) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL811202 0.72 PPARA (0.55) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL5870319 0.71 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL8689056 0.70 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1MMEPTGS1
SCHEMBL5870553 0.69 CYP2A6 (0.44) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL5870599 0.69 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1CTSSCTSK
SCHEMBL14011319 0.67 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1MMEPTGS1

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 SLC1A3 4132/4885SLC1A2 4234/4885SLC1A1 4068/4885

“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.