SCHEMBL3144792

SCHEMBL3144792

CCN(CC)[C@@H](CC(=O)OC)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.42
PDPK1 O15530 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMB5 P28074 1/20 0.37
PSMB2 P49721 1/20 0.37
FURIN P09958 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
MASP2 O00187 1/20 0.35
NAMPT P43490 1/20 0.35
KLK1 P06870 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
SCHEMBL1432258 0.90 KLKB1 (0.42) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3149906 0.90 KLKB1 (0.42) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3143443 0.90 KLKB1 (0.42) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3140132 0.86 KLKB1 (0.43) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3140160 0.86 KLKB1 (0.43) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3154172 0.84 KLKB1 (0.41) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3154147 0.84 KLKB1 (0.41) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3148409 0.82 KLKB1 (0.42) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3148388 0.82 KLKB1 (0.42) KLKB1PDPK1PSMB1PSMB5PSMB2
SCHEMBL3148337 0.82 KLKB1 (0.51) KLKB1PSMB1PSMB5PSMB2MASP2

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 KLKB1 3491/4885PDPK1 1972/4885PSMB1 2799/4885

“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.