SCHEMBL496006

SCHEMBL496006

COC(=O)/C(=C\c1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.35
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL496007 1.00 NFE2L2 (0.35) NFE2L2TRPA1KDM4EMAPTPOLB
SCHEMBL18867932 0.90 MEN1 (0.34) TRPA1KDM4EMAPTRAB9AMEN1
SCHEMBL1851365 0.89 AAK1 (0.40) KDM4EMAPTPOLBRAB9AMEN1
SCHEMBL17118206 0.89 KDM4E (0.36) NFE2L2KDM4EMAPTRAB9A
SCHEMBL16064132 0.89 AAK1 (0.40) KDM4EMAPTPOLBRAB9AMEN1
SCHEMBL18867929 0.85 TRPA1 (0.32) TRPA1KDM4EMAPTKMT2A
SCHEMBL17118232 0.84 MTNR1A (0.41) NFE2L2TRPA1KDM4EKMT2A
SCHEMBL4264186 0.83 MAPT (0.43) MAPTRAB9AMEN1KMT2A
SCHEMBL13878892 0.83 MAPT (0.43) MAPTRAB9AMEN1KMT2A
SCHEMBL4076080 0.83 MAPT (0.43) MAPTRAB9AMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 NFE2L2 3656/4885TRPA1 1523/4885KDM4E 2377/4885

“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.