SCHEMBL404619

SCHEMBL404619

COc1cccc(C2C=CC(OC)(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)C=C2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ANPEP P15144 1/20 0.40
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL404531 0.88 ANPEP (0.36) ANPEP
SCHEMBL4870447 0.75 ANPEP (0.38) ANPEP
SCHEMBL4872450 0.73 ANPEP (0.36) ANPEP
SCHEMBL4236730 0.73
SCHEMBL403597 0.72 ANPEP (0.37) ANPEP
SCHEMBL403349 0.72 ANPEP (0.35) ANPEP
SCHEMBL404620 0.71 ANPEP (0.41) ANPEP
SCHEMBL4873393 0.70 ANPEP (0.41) ANPEP
SCHEMBL4874413 0.69 ANPEP (0.35) ALDH1A1ANPEP
SCHEMBL1109415 0.68 ROCK2 (0.52) MAPK1ANPEP

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CACNA1F 3893/4885CACNA1D 4224/4885CACNA1S 3890/4885

“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.