SCHEMBL6798370

SCHEMBL6798370

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC=C2OCC(=O)C21)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 7/20 0.42
ACE P12821 2/20 0.41
TSHR P16473 1/20 0.41
CTSL P07711 1/20 0.39
CMKLR2 P46091 1/20 0.38
CMKLR1 Q99788 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL6798801 0.93 ACE (0.43) ACETSHRCTSLKMT2AITGB1
SCHEMBL4452919 0.90 ACE (0.47) ACETSHRCTSLKMT2AITGB3
SCHEMBL4449534 0.87 ACE (0.38) ACETSHRCTSLKMT2AITGB1
SCHEMBL6798893 0.85 CHRNA1 (0.42) CTSLACE2
SCHEMBL6804307 0.85 KMT2A (0.49) ACETSHRCTSLKMT2AACE2
SCHEMBL6801466 0.82 GRIA1 (0.42) ACEACE2
SCHEMBL4454262 0.82 ITGB3 (0.42) ACETSHRCTSLKMT2AITGB3
SCHEMBL4451224 0.82 ITGB3 (0.41) ACETSHRCTSLKMT2AITGB1
SCHEMBL4446606 0.81 ITGB3 (0.39) ACETSHRITGB3ITGA2BACE2
SCHEMBL4454188 0.81 ITGB3 (0.40) GPR132ACEITGB3ITGA2B

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 GPR132 2688/4885ACE 371/4885TSHR 3678/4885

“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.