SCHEMBL18364362

SCHEMBL18364362

COC(=O)/C=C/C(=O)OCCCNC(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
HCAR2 Q8TDS4 6/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18364882 0.95 ATM (0.47) ATMHCAR2RAB9AMAPTNPC1
SCHEMBL18364146 0.91 HCAR2 (0.42) ATMHCAR2KEAP1NFE2L2RAB9A
SCHEMBL18364415 0.90 ATM (0.46) ATMHCAR2RAB9AMAPTNPC1
SCHEMBL18364375 0.86 HCAR2 (0.39) ATMHCAR2RAB9AMAPTNPC1
SCHEMBL18364748 0.85 RAB9A (0.42) ATMHCAR2RAB9AMAPTNPC1
SCHEMBL18364366 0.83 ATM (0.47) ATMHCAR2KEAP1NFE2L2RAB9A
SCHEMBL18364383 0.81 ATM (0.50) ATMHCAR2KEAP1NFE2L2RAB9A
SCHEMBL18406527 0.81 ATM (0.46) ATMHCAR2KEAP1NFE2L2RAB9A
SCHEMBL18364180 0.80 HCAR2 (0.44) ATMHCAR2RAB9AMAPTNPC1
SCHEMBL18355274 0.80 ATM (0.47) ATMHCAR2KEAP1NFE2L2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 US disclosed
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-26 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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 (2 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-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ATM 4406/4885HCAR2 290/4885KEAP1 468/4885
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ATM 4406/4885HCAR2 290/4885KEAP1 468/4885

“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.