SCHEMBL18353040

SCHEMBL18353040

CC(C)(C)OC(=O)Nc1ccc(OC(=O)/C=C/C(=O)Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.51
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CYP17A1 P05093 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PSMB8 P28062 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
RAD51 Q06609 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL18354928 0.95 LIPE (0.48) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL4139931 0.88 LIPE (0.49) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL6665914 0.85 LIPE (0.52) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL4636496 0.85 LIPE (0.52) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL1162988 0.85 LIPE (0.52) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL13055402 0.84 CYP17A1 (0.59) LIPECYP17A1PSMB8NAMPTALDH1A1
SCHEMBL29131710 0.83 HPGD (0.59) LIPEPPARGPPARACYP17A1PSMB8
SCHEMBL3303650 0.83 LIPE (0.50) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL30374663 0.83 KMT2A (0.56) LIPEPPARGPPARACYP17A1MEN1
SCHEMBL26785207 0.83 LIPE (0.50) LIPEPPARGPPARACYP17A1MEN1

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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC LIPE 2763/4885PPARG 228/4885PPARA 573/4885

“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.