SCHEMBL18405666

SCHEMBL18405666

COC(=O)/C=C/C(=O)OCC(C)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ CA2 P00918 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL18406859 0.96 MEN1 (0.55) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18406873 0.96 MEN1 (0.55) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18405673 0.91 MAPT (0.50) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18405708 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18405716 0.86 SLC1A3 (0.42) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18405737 0.86 CTSL (0.43) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18406894 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18406881 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1HTTSLC1A3
SCHEMBL18405689 0.82 SMN1; SMN2 (0.51) ALDH1A1SLC1A3SLC1A2SLC1A1MMP1
SCHEMBL18405645 0.81 HCAR2 (0.42) ALDH1A1HCAR2CA12CA14MAPT

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 MEN1 3008/4885KMT2A 1588/4885ALDH1A1 1949/4885

“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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