SCHEMBL5870362

SCHEMBL5870362

O=C(O)C(CC1CCCCC1)OCc1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.50
SLC1A2 P43004 3/20 0.50
SLC1A1 P43005 3/20 0.50
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 1/20 0.35
CETP P11597 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CPB1 P15086 1/20 0.34
CPB2 Q96IY4 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL5870393 0.86 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1METAP2METAP1
SCHEMBL4451525 0.82 EPHX2 (0.46) SLC1A3SLC1A2SLC1A1METAP2METAP1
SCHEMBL9265345 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1METAP2METAP1
SCHEMBL5870539 0.76 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1METAP2METAP1
SCHEMBL5870120 0.73 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1CTSSCTSL
SCHEMBL26942268 0.72 ADORA2B (0.33) CPB1CPB2
SCHEMBL26940460 0.68 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CTSKLTA4H
SCHEMBL7103226 0.68 CTSS (0.46) METAP2METAP1CTSSCTSLCTSK
SCHEMBL6062939 0.66 CTSS (0.57) CTSSCTSLCTSK
SCHEMBL24307961 0.65 CTSB (0.51) METAP2METAP1CTSSCTSLCTSK

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.