SCHEMBL18355348

SCHEMBL18355348

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nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.32
GFPT1 Q06210 1/20 0.32
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TXNRD1 Q16881 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
SCHEMBL18352646 0.95 TSHR (0.38) HCAR2KEAP1NFE2L2TSHRGAA
SCHEMBL18355273 0.85 HCAR2 (0.37) HCAR2KEAP1NFE2L2TSHRGAA
SCHEMBL18094733 0.83 TSHR (0.56) TSHRALOX15ALDH1A1HPGD
SCHEMBL18355149 0.83 HCAR2 (0.43) HCAR2KEAP1NFE2L2TSHRGFPT1
SCHEMBL18418525 0.82 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRGAA
SCHEMBL18355350 0.81 HCAR2 (0.42) HCAR2KEAP1NFE2L2TSHRGAA
SCHEMBL18355269 0.80 SMN1; SMN2 (0.41) HCAR2KEAP1NFE2L2TSHRGFPT1
SCHEMBL18352689 0.80 TSHR (0.34) HCAR2TSHRGAAALOX15TXNRD1
SCHEMBL28762368 0.79 POLB (0.34) GAAKDM4EALDH1A1HPGD
SCHEMBL18352648 0.77 TSHR (0.41) HCAR2KEAP1NFE2L2TSHRALDH1A1

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-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.