SCHEMBL18364443

SCHEMBL18364443

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TXNRD1 Q16881 1/20 0.38
HCAR2 Q8TDS4 6/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 2/20 0.32
ABCC1 P33527 2/20 0.32
ABCG2 Q9UNQ0 2/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL18364903 0.96 ATM (0.44) ATMLMNASMN1; SMN2TXNRD1HCAR2
SCHEMBL18364421 0.90 ATM (0.44) ATMLMNASMN1; SMN2TXNRD1HCAR2
SCHEMBL18364427 0.87 TXNRD1 (0.38) ATMLMNASMN1; SMN2TXNRD1HCAR2
SCHEMBL18364446 0.84 ATM (0.44) ATMLMNASMN1; SMN2HCAR2KEAP1
SCHEMBL18355259 0.80 ATM (0.47) ATMLMNASMN1; SMN2HCAR2KEAP1
SCHEMBL18354877 0.80 ATM (0.41) ATMLMNASMN1; SMN2TXNRD1HCAR2
SCHEMBL18364410 0.80 ATM (0.41) ATMLMNASMN1; SMN2HCAR2KEAP1
SCHEMBL18364893 0.79 ATM (0.48) ATMLMNASMN1; SMN2HCAR2KEAP1
SCHEMBL17695736 0.78 LMNA (0.55) ATMLMNASMN1; SMN2HCAR2KEAP1
SCHEMBL8016512 0.78 LMNA (0.55) ATMLMNASMN1; SMN2HCAR2KEAP1

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-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 (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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ATM 4406/4885LMNA 4358/4885SMN1; SMN2 79/4885

“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.