SCHEMBL18405652

SCHEMBL18405652

CCOC(=O)/C=C/C(=O)OCCNS(=O)(=O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.43
ATM Q13315 1/20 0.40
MAPT P10636 13/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 6/20 0.35
MDM2 Q00987 2/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
AGTR1 P30556 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MDM4 O15151 1/20 0.33

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
SCHEMBL18406860 0.95 ATM (0.39) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405727 0.91 ATM (0.45) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405626 0.91 HCAR2 (0.39) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405654 0.87 HCAR2 (0.48) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405657 0.87 HCAR2 (0.40) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18406934 0.86 ATM (0.44) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405629 0.84 HCAR2 (0.42) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405632 0.83 HCAR2 (0.44) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18405722 0.82 ATM (0.41) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL16038723 0.82 ATM (0.48) HCAR2ATMMAPTNPSR1RAB9A

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 290/4885ATM 4406/4885MAPT 8/4885

“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.