SCHEMBL5870581

SCHEMBL5870581

O=C(O)C(CC(=O)C1CNCCO1)CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 3/20 0.46
CPB2 Q96IY4 3/20 0.46
SSTR4 P31391 1/20 0.41
LTA4H P09960 1/20 0.36
CTSS P25774 2/20 0.33
REN P00797 6/20 0.33
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL5870601 0.77 SSTR4 (0.41) SSTR4REN
SCHEMBL2535111 0.73 CPN1 (0.40) CPN1CPB2SSTR4
SCHEMBL294389 0.71 REN (0.41) SSTR4REN
SCHEMBL9208253 0.70 MMP2 (0.50) CPN1CPB2LTA4HMMP2MMP9
SCHEMBL2856572 0.70 MMP2 (0.50) CPN1CPB2LTA4HMMP2MMP9
SCHEMBL31109109 0.70 LTA4H (0.48) CPN1CPB2LTA4HMMP2MMP9
SCHEMBL8871986 0.70 CPN1 (0.50) CPN1CPB2LTA4HMMP2MMP9
SCHEMBL2926325 0.69 SSTR4 (0.56) SSTR4MMP2MMP9
SCHEMBL4603755 0.69 MMP2 (0.51) CPN1CPB2LTA4HMMP2MMP9
SCHEMBL4603751 0.69 MMP2 (0.51) CPN1CPB2LTA4HMMP2MMP9

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 2 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

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 CPN1 1/4885CPB2 9/4885SSTR4 4480/4885

“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.