SCHEMBL17036710

SCHEMBL17036710

COC(=O)/C=C/C(=O)OCCNS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GFPT1 Q06210 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL17023243 0.94 ATM (0.45) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18405757 0.90 ATM (0.47) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL17023244 0.88 HCAR2 (0.55) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18395418 0.88 HCAR2 (0.48) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL17023245 0.88 HCAR2 (0.55) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18405663 0.88 HCAR2 (0.48) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405631 0.84 HCAR2 (0.45) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18406944 0.84 ATM (0.52) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18395083 0.83 HCAR2 (0.44) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405667 0.83 HCAR2 (0.44) HCAR2ATMMAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110793-B1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LTD (IE) 2019-08-21 EP disclosed
US-10301256-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2019-05-28 US disclosed
US-20170129851-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-05-11 US disclosed
US-20170129851-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-05-11 US disclosed
US-9604922-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-28 US disclosed
US-9604922-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-28 US disclosed
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-20150239829-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2015-08-27 US disclosed
US-20150239829-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2015-08-27 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 (4 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-10301256-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases SULT2A1, FH, STS HCAR2 544/4885KEAP1 1735/4885NFE2L2 942/4885
US-20170129851-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES SULT2A1, FH, STS HCAR2 544/4885KEAP1 1735/4885NFE2L2 942/4885
US-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885KEAP1 468/4885NFE2L2 399/4885
US-20150239829-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES SULT2A1, FH, STS HCAR2 544/4885KEAP1 1735/4885NFE2L2 942/4885

“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.