SCHEMBL18405700

SCHEMBL18405700

CCS(=O)(=O)NC(COC(=O)/C=C/C(=O)OC(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ KCNA5 P22460 2/20 0.38
▸ ATM Q13315 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL18406909 0.93 MAPT (0.47) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18406901 0.93 MAPT (0.47) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405710 0.91 HCAR2 (0.41) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405719 0.90 HCAR2 (0.40) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405705 0.90 HCAR2 (0.40) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405686 0.89 HCAR2 (0.44) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405697 0.89 MAPT (0.44) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405714 0.89 MAPT (0.53) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405718 0.88 HCAR2 (0.43) HCAR2MAPTMDM4LMNAMDM2
SCHEMBL18405703 0.87 ALDH1A1 (0.46) HCAR2MAPTMDM4LMNAMDM2

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 290/4885MAPT 8/4885MDM4 949/4885

“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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