SCHEMBL5870599

SCHEMBL5870599

CC(C)(C)CC(OCc1ccco1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.40
RIPK1 Q13546 1/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL12611216 0.77 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1ALDH1A1MAPK1
SCHEMBL12611350 0.75 SLC1A3 (0.71) SLC1A3SLC1A2SLC1A1ALDH1A1MAPK1
SCHEMBL5870398 0.74 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1ALDH1A1PTGS1
SCHEMBL5870120 0.74 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1PTGS1PTGS2
SCHEMBL14972987 0.72 ALDH1A1 (0.54) SLC1A3SLC1A2SLC1A1ALDH1A1MAPK1
SCHEMBL12611235 0.72 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1ALDH1A1MAPK1
SCHEMBL14988853 0.71 RAB9A (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1PTGS1
SCHEMBL5870236 0.71 TSHR (0.43) SLC1A3SLC1A2SLC1A1ALDH1A1MAPT
SCHEMBL5870633 0.70 TSHR (0.40) SLC1A3SLC1A2SLC1A1ALDH1A1MAPK1
SCHEMBL1845031 0.70 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1ALDH1A1MAPK1

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.