SCHEMBL3140071

SCHEMBL3140071

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
REN P00797 14/20 0.42
CTSL P07711 1/20 0.41
KLKB1 P03952 1/20 0.40
BACE1 P56817 1/20 0.40
PGA5 P0DJD9 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL3140056 1.00 CA2 (0.44) CA2RENCTSLKLKB1BACE1
SCHEMBL3140061 1.00 CA2 (0.44) CA2RENCTSLKLKB1BACE1
SCHEMBL1434219 0.88 KLKB1 (0.42) KLKB1
SCHEMBL1433934 0.85 KLKB1 (0.39) RENCTSLKLKB1
SCHEMBL1433933 0.85 KLKB1 (0.39) RENCTSLKLKB1
SCHEMBL1433938 0.85 KLKB1 (0.39) RENCTSLKLKB1
SCHEMBL1432454 0.85 KLKB1 (0.40) KLKB1
Trifluoroacetic Acid SCHEMBL1432772 0.84 PSMB5 (0.43) KLKB1
SCHEMBL1431768 0.84 KLKB1 (0.43) KLKB1
SCHEMBL1431611 0.84 KLKB1 (0.40) KLKB1

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 CA2 897/4885REN 1899/4885CTSL 2316/4885

“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.