SCHEMBL2056437

SCHEMBL2056437

CCCCOc1nc(N)nc(NC(=O)CCCNC(=O)OC(C)(C)C)c1N=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
TLR7 Q9NYK1 4/20 0.40
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL14383622 0.86 CDK1 (0.47) CA1CA2TLR7KDM4EMAPT
SCHEMBL14383623 0.82 HDAC8 (0.41) CA1CA2TLR7KDM4EL3MBTL1
SCHEMBL2097346 0.82 PIN1 (0.47) CA1CA2TLR7KDM4EMAPT
SCHEMBL2056440 0.70 CA1 (0.43) CA1CA2TLR7CA12CA9
SCHEMBL31245919 0.66 CA1 (0.67) CA1CA2CA12CA9CYP3A4
SCHEMBL1370043 0.66 CA1 (0.49) CA1CA2CA12CA9STK17B
SCHEMBL13480197 0.66 TDP1 (0.58) CA1CA2CA12CA9L3MBTL1
SCHEMBL12968430 0.66 CA1 (0.51) CA1CA2TLR7CA12CA9
SCHEMBL12968433 0.66 CA1 (0.51) CA1CA2TLR7CA12CA9
SCHEMBL15613905 0.64 CA12 (0.54) CA1CA2CA12CA9

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-1730298-B1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (CH) 2015-11-11 EP disclosed
US-8163479-B2 Specific substrates for O6-alkylguanine-DNA alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2012-04-24 US disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 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-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 CA1 4500/4885CA2 3221/4885TLR7 3143/4885

“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.