SCHEMBL18405651

SCHEMBL18405651

COC(=O)/C=C/C(=O)OCC(C)NS(=O)(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ CA14 Q9ULX7 3/20 0.33
▸ GFPT1 Q06210 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HPGD P15428 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
SCHEMBL18406870 0.95 TSHR (0.34) HCAR2KEAP1NFE2L2CA14TSHR
SCHEMBL18406866 0.95 TSHR (0.34) HCAR2KEAP1NFE2L2CA14TSHR
SCHEMBL18405655 0.90 HCAR2 (0.42) HCAR2CA14CA12ALDH1A1MAPT
SCHEMBL18405664 0.88 HCAR2 (0.41) HCAR2CA14TSHRCA12KDM4E
SCHEMBL18405646 0.84 HCAR2 (0.38) HCAR2KEAP1NFE2L2CA14GFPT1
SCHEMBL18405660 0.83 HCAR2 (0.43) HCAR2KEAP1NFE2L2CA14GFPT1
SCHEMBL18405645 0.81 HCAR2 (0.42) HCAR2KEAP1NFE2L2CA14GFPT1
SCHEMBL18405659 0.81 HCAR2 (0.42) HCAR2KEAP1NFE2L2CA14GFPT1
SCHEMBL18406888 0.80 TSHR (0.33) HCAR2CA14TSHRCA12ALDH1A1
SCHEMBL18406877 0.80 TSHR (0.33) HCAR2CA14TSHRCA12ALDH1A1

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-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

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-20170020837-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885KEAP1 468/4885NFE2L2 399/4885

“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.

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