SCHEMBL3138276

SCHEMBL3138276

CN[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.53
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
MASP2 O00187 1/20 0.44
KLK1 P06870 4/20 0.44
MMP1 P03956 1/20 0.42
FCER2 P06734 1/20 0.42

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
SCHEMBL3138289 1.00 KLKB1 (0.53) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL3148754 0.91 KLKB1 (0.51) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL3148766 0.91 KLKB1 (0.51) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL1431758 0.90 KLKB1 (0.49) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL1901817 0.90 KLKB1 (0.49) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL3149440 0.90 KLKB1 (0.49) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL1901814 0.90 KLKB1 (0.49) KLKB1PSMB1PSMB5PSMB2MASP2
SCHEMBL1431801 0.89 KLKB1 (0.50) KLKB1KLK1
SCHEMBL3154156 0.89 KLKB1 (0.50) KLKB1KLK1
SCHEMBL3140149 0.88 KLKB1 (0.49) 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 3491/4885PSMB1 2799/4885PSMB5 1741/4885

“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.