SCHEMBL5870440

SCHEMBL5870440

CN(C(=O)C(Cc1ccc(O)cc1)OC(=O)n1ccc(-c2ccccc2)c1)C1COCC1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.33
CTSK P43235 3/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSB P07858 1/20 0.32
PPARG P37231 7/20 0.31
PPARA Q07869 6/20 0.31
PPARD Q03181 1/20 0.31
SRR Q9GZT4 2/20 0.31
PSAT1 Q9Y617 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MMP9 P14780 1/20 0.30
MMP8 P22894 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
SCHEMBL5870424 0.82 HDAC8 (0.41) OPRM1CTSKCTSLCTSSCTSB
SCHEMBL5870433 0.75 NAAA (0.39) CTSKCTSSCTSB
SCHEMBL5870582 0.62 MMP9 (0.41) CTSKCTSSCTSBMMP9MMP8
SCHEMBL6383513 0.58 NPC1 (0.50)
SCHEMBL6383516 0.58 NPC1 (0.50)
Tyrosine SCHEMBL28854884 0.55 SLC7A5 (0.83) SRRPSAT1
SCHEMBL29696022 0.55 SRR (0.50) PPARGPPARASRRPSAT1MMP9
Trimethylammonium SCHEMBL5607489 0.54 PPARA (0.52) PPARGPPARAPPARDSRRPSAT1
SCHEMBL7896081 0.54 TSHR (0.41) CTSKCTSLCTSBSRRMMP8
SCHEMBL5096058 0.54 IDH1 (0.44)

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 OPRM1 2514/4885CTSK 58/4885CTSL 22/4885

“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.