SCHEMBL17039451

SCHEMBL17039451

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
EPHX1 P07099 1/20 0.40
ATM Q13315 1/20 0.37
MAPT P10636 3/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 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
SCHEMBL18405628 0.86 HCAR2 (0.42) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL775846 0.81 TSHR (0.44) EPHX1CA1CA2ALDH1A1IDO1
SCHEMBL18406854 0.80 ATM (0.41) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL17036710 0.80 HCAR2 (0.46) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18405631 0.79 HCAR2 (0.45) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL9946240 0.78 EPHX1 (0.46) EPHX1RAB9ACA1CA2ALDH1A1
SCHEMBL18405626 0.77 HCAR2 (0.39) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL18405627 0.76 GRIA1 (0.43) HCAR2KEAP1NFE2L2ATMMAPT
SCHEMBL23963384 0.76 EPHX1 (0.43) EPHX1MAPTNPSR1CA1CA2
SCHEMBL15681507 0.76 EPHX1 (0.43) EPHX1CA1CA2IDO1

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-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-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-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 (3 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-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.