SCHEMBL5870633

SCHEMBL5870633

CC(C)(C)CC(C(=O)O)S(=O)(=O)Cc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.38
RIPK1 Q13546 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
APP P05067 1/20 0.35
GAA P10253 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
SCHEMBL10527581 0.84 ALDH1A1 (0.41) TSHRRAB9ARIPK1SLC1A3SLC1A2
SCHEMBL10515557 0.78 PTGS1 (0.43) TSHRMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL5870431 0.77 SLC1A3 (0.40) TSHRMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL5870637 0.75 CYP2C19 (0.46) RAB9ARIPK1SLC1A3SLC1A2SLC1A1
SCHEMBL5870319 0.73 SLC1A3 (0.40) RAB9AMAPTSLC1A3SLC1A2SLC1A1
SCHEMBL14988853 0.70 RAB9A (0.42) TSHRRAB9ARIPK1SLC1A3SLC1A2
SCHEMBL5870599 0.70 SLC1A3 (0.55) TSHRTP53MAPTMAPK1RIPK1
SCHEMBL5870236 0.70 TSHR (0.43) TSHRRAB9AMAPTRIPK1SLC1A3
SCHEMBL16682783 0.68 CTSS (0.45) TSHRRAB9AMAPTRIPK1SLC1A3
SCHEMBL16682789 0.68 CTSS (0.45) TSHRRAB9AMAPTRIPK1SLC1A3

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 TSHR 3128/4885RAB9A 2461/4885TP53 3139/4885

“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.