SCHEMBL5870637

SCHEMBL5870637

CC(C)(C)CC(C(=O)O)S(=O)(=O)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
RIPK1 Q13546 1/20 0.38
CTSC P53634 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL5870319 0.76 SLC1A3 (0.40) ALDH1A1SLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL5870633 0.75 TSHR (0.40) ALDH1A1SLC1A3SLC1A2SLC1A1RIPK1
SCHEMBL5870431 0.74 SLC1A3 (0.40) ALDH1A1SLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL5870185 0.73 CYP2A6 (0.43) POLB
SCHEMBL3103121 0.72 ALDH1A1 (0.44) CYP2C19PKMALDH1A1RAB9AHTT
SCHEMBL5870635 0.70 CYP2C19 (0.47) CYP2C19PKMALDH1A1SLC1A3SLC1A2
SCHEMBL5870398 0.70 SLC1A3 (0.56) CYP2C19PKMALDH1A1SLC1A3SLC1A2
SCHEMBL5361025 0.69 PKM (0.58) CYP2C19PKMALDH1A1RAB9APOLB
SCHEMBL6871347 0.68 PKM (0.47) CYP2C19PKMALDH1A1RIPK1RAB9A
SCHEMBL16682795 0.67 CYP2C19 (0.64) CYP2C19PKMALDH1A1SLC1A3SLC1A2

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 CYP2C19 4295/4885PKM 3237/4885ALDH1A1 2913/4885

“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.