SCHEMBL1433933

SCHEMBL1433933

CCC(C)C(C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.39
FURIN P09958 1/20 0.37
KLK1 P06870 5/20 0.36
HTRA1 Q92743 1/20 0.35
CTSL P07711 1/20 0.34
MASP2 O00187 1/20 0.34
F7 P08709 1/20 0.34
REN P00797 1/20 0.33
CYP3A4 P08684 1/20 0.33
SCN9A Q15858 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
SCHEMBL1433938 1.00 KLKB1 (0.39) KLKB1FURINKLK1HTRA1CTSL
SCHEMBL1433934 1.00 KLKB1 (0.39) KLKB1FURINKLK1HTRA1CTSL
SCHEMBL1432421 0.88 KLKB1 (0.41) KLKB1FURINKLK1HTRA1MASP2
SCHEMBL3140056 0.85 CA2 (0.44) KLKB1CTSLREN
SCHEMBL3140061 0.85 CA2 (0.44) KLKB1CTSLREN
SCHEMBL3140071 0.85 CA2 (0.44) KLKB1CTSLREN
SCHEMBL13416201 0.84 KLKB1 (0.39) KLKB1FURINKLK1MASP2F7
SCHEMBL3141379 0.82 KLKB1 (0.43) KLKB1FURINKLK1HTRA1MASP2
SCHEMBL3141397 0.82 KLKB1 (0.43) KLKB1FURINKLK1HTRA1MASP2
SCHEMBL1431768 0.82 KLKB1 (0.43) KLKB1FURINKLK1HTRA1MASP2

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 KLKB1 3491/4885FURIN 2416/4885KLK1 3749/4885

“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.