SCHEMBL18355352

SCHEMBL18355352

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nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GFPT1 Q06210 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
JAK2 O60674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 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
SCHEMBL18353038 0.95 CHRNB2 (0.38) HCAR2KEAP1NFE2L2CHRNB2CHRNA4
SCHEMBL18354906 0.86 HCAR2 (0.39) HCAR2KEAP1NFE2L2GFPT1TSHR
SCHEMBL18354908 0.85 HCAR2 (0.38) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL18355149 0.84 HCAR2 (0.43) HCAR2KEAP1NFE2L2GFPT1CHRNB2
SCHEMBL18355273 0.84 HCAR2 (0.37) HCAR2KEAP1NFE2L2GFPT1TSHR
SCHEMBL18094744 0.83 TSHR (0.53) CHRNB2CHRNA4TSHRALDH1A1SMN1; SMN2
SCHEMBL18353215 0.81 TSHR (0.34) HCAR2TSHRKDM4EALDH1A1GAA
SCHEMBL18353032 0.79 CHRNB2 (0.41) HCAR2CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL18355463 0.78 LMNA (0.42) TSHRKDM4EALDH1A1GAAMAPT
SCHEMBL18354922 0.78 EPHX1 (0.39) ATM

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.