SCHEMBL404620

SCHEMBL404620

COc1cccc(C2=CCC(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 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MME P08473 2/20 0.34
MMP9 P14780 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
SCHEMBL404532 0.88 ANPEP (0.34) ANPEP
SCHEMBL4239586 0.77
SCHEMBL4870451 0.74
SCHEMBL404619 0.71 CACNA1F (0.41) ANPEP
SCHEMBL1109415 0.71 ROCK2 (0.52) ANPEP
SCHEMBL403350 0.71
SCHEMBL4236734 0.71
SCHEMBL4873402 0.71 ANPEP (0.36) ANPEP
SCHEMBL403598 0.70 ANPEP (0.35) ANPEP
SCHEMBL404524 0.68 HDAC6 (0.57) SMN1; SMN2MAPTNPC1

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 ANPEP 744/4885SMN1; SMN2 2296/4885TP53 4507/4885

“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.