SCHEMBL18395083

SCHEMBL18395083

CC(C)OC(=O)C=CC(=O)OCCNS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.44
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.33
AKR1B10 O60218 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL18405667 1.00 HCAR2 (0.44) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18395135 0.91 HCAR2 (0.42) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405736 0.91 HCAR2 (0.42) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL17023243 0.88 ATM (0.45) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405637 0.86 HCAR2 (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405638 0.86 HCAR2 (0.43) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405641 0.84 HCAR2 (0.41) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405665 0.84 HCAR2 (0.41) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL17036710 0.83 HCAR2 (0.46) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18405657 0.82 HCAR2 (0.40) HCAR2ATMMAPTRAB9ANPSR1

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 1 patent. 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

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.