SCHEMBL6801715

SCHEMBL6801715

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC=C2OCC(=O)C21)c1cnccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.39
ACE2 Q9BYF1 1/20 0.37
F2 P00734 1/20 0.35
ACE P12821 1/20 0.34
TACR2 P21452 1/20 0.34
OPRD1 P41143 1/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
HDAC7 Q8WUI4 1/20 0.33
ITGB1 P05556 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL4452919 0.84 ACE (0.47) ACE2ACE
SCHEMBL4446606 0.84 ITGB3 (0.39) ROCK2ACE2ACE
SCHEMBL6798893 0.81 CHRNA1 (0.42) ACE2OPRD1
SCHEMBL6801466 0.80 GRIA1 (0.42) ACE2ACEOPRD1
SCHEMBL6802332 0.80 CTSS (0.51) ROCK2ACE2F2ACE
SCHEMBL6798801 0.79 ACE (0.43) ACE2ACEITGA4ITGB1
SCHEMBL6804307 0.79 KMT2A (0.49) ACE2ACE
SCHEMBL6803819 0.79 ITGB3 (0.37) ROCK2ACE
SCHEMBL6801711 0.79 CTSS (0.48) ROCK2ACE2ACE
SCHEMBL4454262 0.78 ITGB3 (0.42) ACE2ACELNPEP

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 ROCK2 2088/4885ACE2 507/4885F2 877/4885

“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.