SCHEMBL5870398

SCHEMBL5870398

CC(C)(C)CC(OCc1cccs1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
RIPK1 Q13546 1/20 0.39
PKM P14618 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSC P53634 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL5870194 0.74 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1CYP2C19CYP1A2
SCHEMBL5870599 0.74 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1ALDH1A1RIPK1
SCHEMBL2139145 0.72 CYP2C19 (0.60) SLC1A3SLC1A2SLC1A1CYP2C19ALDH1A1
SCHEMBL811268 0.72 CYP2C19 (0.60) SLC1A3SLC1A2SLC1A1CYP2C19ALDH1A1
SCHEMBL5870120 0.71 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1CYP2C19CYP3A4
SCHEMBL5870635 0.71 CYP2C19 (0.47) SLC1A3SLC1A2SLC1A1CYP2C19ALDH1A1
SCHEMBL5870637 0.70 CYP2C19 (0.46) SLC1A3SLC1A2SLC1A1CYP2C19ALDH1A1
SCHEMBL8055386 0.70 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CYP2C19ALDH1A1
SCHEMBL5361025 0.69 PKM (0.58) CYP2C19ALDH1A1NPC1RAB9ACYP3A4
SCHEMBL12394783 0.69 SMN1; SMN2 (0.54) SLC1A3SLC1A2SLC1A1CYP2C19ALDH1A1

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.