SCHEMBL1431979

SCHEMBL1431979

CC(C)N(CC(=O)N[C@@H](CC1CCCC2CCCCC21)C(=O)NCc1ccc(N)nc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSMB10 P40306 8/20 0.40
▸ PSMB2 P49721 6/20 0.40
▸ MASP2 O00187 3/20 0.39
▸ FURIN P09958 1/20 0.36
▸ PSMB5 P28074 1/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ TLR2 O60603 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
SCHEMBL3140003 1.00 PSMB10 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1907759 0.91 PSMB10 (0.41) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1907760 0.91 PSMB10 (0.41) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1903263 0.89 MASP2 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1903269 0.89 MASP2 (0.40) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1431923 0.88 PSMB10 (0.40) PSMB10PSMB2MASP2FURINCPB2
SCHEMBL1431917 0.88 PSMB10 (0.40) PSMB10PSMB2MASP2FURINCPB2
SCHEMBL3141239 0.87 PSMB10 (0.39) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1432775 0.87 PSMB10 (0.39) PSMB10PSMB2MASP2FURINPSMB5
SCHEMBL1432229 0.87 MASP2 (0.43) PSMB10PSMB2MASP2FURINPSMB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO 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 PSMB10 2852/4885PSMB2 2867/4885MASP2 3039/4885

“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.

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