SCHEMBL6798801

SCHEMBL6798801

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC=C2OCC(=O)C21)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
CHRM4 P08173 1/20 0.41
TSHR P16473 1/20 0.41
ACE2 Q9BYF1 1/20 0.39
CTSL P07711 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
PTPN1 P18031 2/20 0.38
CTSK P43235 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 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
SCHEMBL6798370 0.93 GPR132 (0.42) ACEITGB3ITGA2BTSHRACE2
SCHEMBL4452919 0.92 ACE (0.47) ACEITGB3ITGA2BTSHRACE2
SCHEMBL4451224 0.89 ITGB3 (0.41) ACEITGB3ITGA2BTSHRCTSL
SCHEMBL4454188 0.88 ITGB3 (0.40) ACEITGB3ITGA2B
SCHEMBL4454262 0.87 ITGB3 (0.42) ACEITGB3ITGA2BTSHRACE2
SCHEMBL6804307 0.87 KMT2A (0.49) ACETSHRACE2CTSLKMT2A
SCHEMBL4458967 0.86 CTSK (0.47) ACEITGB3ITGA2BTSHRACE2
SCHEMBL4452835 0.86 ITGB3 (0.41) ACEITGB3ITGA2BTSHRACE2
SCHEMBL4458898 0.86 ITGB3 (0.41) ACEITGB3ITGA2BTSHRCTSL
SCHEMBL6798893 0.85 CHRNA1 (0.42) ACE2CTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 ACE 371/4885ITGB3 3028/4885ITGA2B 1974/4885

“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.