SCHEMBL18405692

SCHEMBL18405692

CCOC(=O)/C=C/C(=O)OCC(NS(=O)(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MDM2 Q00987 2/20 0.49
▸ MDM4 O15151 1/20 0.49
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ THRB P10828 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MMP8 P22894 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MMP1 P03956 1/20 0.38

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
SCHEMBL18406912 0.94 SLC1A3 (0.46) MAPTLMNAMDM2MDM4SLC1A3
SCHEMBL18406897 0.94 SLC1A3 (0.46) MAPTLMNAMDM2MDM4SLC1A3
SCHEMBL18405716 0.92 SLC1A3 (0.42) MAPTLMNAMDM2MDM4SLC1A3
SCHEMBL18405714 0.90 MAPT (0.53) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18405705 0.89 HCAR2 (0.40) MAPTLMNAMDM2MDM4SLC1A3
SCHEMBL18405673 0.87 MAPT (0.50) MAPTLMNAMDM2MDM4SLC1A3
SCHEMBL18406909 0.86 MAPT (0.47) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18406901 0.86 MAPT (0.47) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18405683 0.86 MAPT (0.49) MAPTLMNAMDM2MDM4ALDH1A1
SCHEMBL18405699 0.86 MAPT (0.49) MAPTLMNAMDM2MDM4ALDH1A1

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 MAPT 8/4885LMNA 4358/4885MDM2 363/4885

“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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