SCHEMBL4874423

SCHEMBL4874423

CCCc1cccc(C2=CCC(CN[C@H](C(=O)NO)[C@@H](C)O)(OC)C=C2)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.32
ANPEP P15144 2/20 0.32
SLC5A1 P13866 1/20 0.32
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL4877020 0.79 MMP8 (0.34) ANPEP
SCHEMBL4874413 0.72 ANPEP (0.35) MEP1BANPEP
SCHEMBL4453136 0.68 BCL2 (0.36)
SCHEMBL404620 0.67 ANPEP (0.41) ANPEP
SCHEMBL404532 0.66 ANPEP (0.34) ANPEP
SCHEMBL4870451 0.65
SCHEMBL4873402 0.64 ANPEP (0.36) ANPEP
SCHEMBL4455027 0.63 BCL2 (0.39)
SCHEMBL403598 0.62 ANPEP (0.35) ANPEP
SCHEMBL14861280 0.61 HDAC6 (0.58)

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ANPEP 744/4885SLC5A1 148/4885

“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.