SCHEMBL18353059

SCHEMBL18353059

COC(=O)NCCOC(=O)/C=C/C(=O)OCCNC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 7/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 7/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL18354875 0.96 HCAR2 (0.50) ATMHCAR2EPHX1MEN1HSP90AA1
SCHEMBL18355226 0.93 HCAR2 (0.50) ATMHCAR2EPHX1MEN1HSP90AA1
SCHEMBL18353015 0.88 ATM (0.53) ATMHCAR2EPHX1MAPTRAB9A
SCHEMBL18355319 0.88 HCAR2 (0.46) ATMHCAR2EPHX1MEN1HSP90AA1
SCHEMBL18354907 0.85 ATM (0.50) ATMHCAR2EPHX1KEAP1NFE2L2
SCHEMBL18353002 0.84 L3MBTL1 (0.49) ATMHCAR2KMT2AACHE
SCHEMBL10081623 0.84 TSHR (0.50) EPHX1MEN1HSP90AA1KMT2AACHE
SCHEMBL18355229 0.83 L3MBTL1 (0.46) ATMHCAR2KMT2AKEAP1NFE2L2
SCHEMBL18355233 0.82 HCAR2 (0.52) ATMHCAR2MAPTACHE
SCHEMBL18354905 0.82 ATM (0.52) ATMHCAR2EPHX1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ATM 4406/4885HCAR2 290/4885EPHX1 2795/4885

“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.