SCHEMBL1432298

SCHEMBL1432298

CCC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.53
CTSS P25774 1/20 0.53
CYP3A4 P08684 3/20 0.48
REN P00797 10/20 0.45
PSMB1 P20618 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
CTSD P07339 1/20 0.44
CTSB P07858 1/20 0.43
CA2 P00918 2/20 0.42
BACE1 P56817 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
SCHEMBL1432297 1.00 CTSK (0.53) CTSKCTSSCYP3A4RENPSMB1
SCHEMBL1432294 1.00 CTSK (0.53) CTSKCTSSCYP3A4RENPSMB1
SCHEMBL1432788 0.90 CTSS (0.65) CTSKCTSSCYP3A4PSMB1PSMB8
SCHEMBL1905139 0.87 CTSK (0.53) CTSKCTSSCYP3A4RENPSMB1
SCHEMBL1905136 0.87 CTSK (0.53) CTSKCTSSCYP3A4RENPSMB1
SCHEMBL1905137 0.87 CTSK (0.53) CTSKCTSSCYP3A4RENPSMB1
SCHEMBL1431845 0.84 MME (0.51) CTSKCTSSPSMB8PSMB5MME
SCHEMBL3140061 0.83 CA2 (0.44) RENCTSDCA2BACE1
SCHEMBL3140056 0.83 CA2 (0.44) RENCTSDCA2BACE1
SCHEMBL3140071 0.83 CA2 (0.44) RENCTSDCA2BACE1

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 CTSK 2782/4885CTSS 3171/4885CYP3A4 307/4885

“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.