SCHEMBL6414451

SCHEMBL6414451

C[C@H](N)Cc1cccc(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.51
NQO2 P16083 1/20 0.48
SLC7A5 Q01650 1/20 0.46
CA1 P00915 2/20 0.46
POLB P06746 1/20 0.45
NAMPT P43490 1/20 0.45
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44
CTSL P07711 1/20 0.43
GLS O94925 1/20 0.42
REN P00797 1/20 0.42
MALT1 Q9UDY8 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
SCHEMBL731697 1.00 CA2 (0.51) CA2NQO2SLC7A5CA1POLB
SCHEMBL731698 1.00 CA2 (0.51) CA2NQO2SLC7A5CA1POLB
SCHEMBL5264017 0.87 GLS (0.51) SLC7A5NAMPTCTSKCTSSCTSB
SCHEMBL5261267 0.87 GLS (0.51) SLC7A5NAMPTCTSKCTSSCTSB
SCHEMBL3933847 0.85 CA2 (0.48) CA2NQO2POLBNAMPTIDO1
SCHEMBL27832827 0.85 NQO2 (0.51) CA2NQO2CA1POLBNAMPT
SCHEMBL693223 0.84 SIGMAR1 (0.53) CA2NAMPTIDO1CTSKCTSS
SCHEMBL9985225 0.84 NQO2 (0.52) CA2NQO2CA1POLBNAMPT
SCHEMBL6414458 0.83 CA2 (0.49) CA2NQO2CA1POLBNAMPT
SCHEMBL1718277 0.83 NQO2 (0.51) CA2NQO2CA1POLBNAMPT

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-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT CA2 2117/4885NQO2 4056/4885SLC7A5 4411/4885

“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.