SCHEMBL17991868

SCHEMBL17991868

CC(C)COC(=O)/C=C/C(=O)OCCc1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ TAB1 Q15750 1/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL17991891 0.89 HCAR2 (0.40) GAAHTTSMN1; SMN2HCAR2
SCHEMBL17991870 0.88 HCAR2 (0.36) HPGDALDH1A1HTTSMN1; SMN2HCAR2
SCHEMBL17991876 0.87 HPGD (0.51) HPGDALDH1A1TSHRPOLBGAA
SCHEMBL17991885 0.86 ALDH1A1 (0.35) HPGDALDH1A1HTTSMN1; SMN2HCAR2
SCHEMBL17991873 0.86 KMT2A (0.43) POLBHTTSMN1; SMN2KDM4EHCAR2
SCHEMBL17991872 0.86 HTT (0.36) HTTSMN1; SMN2HCAR2
SCHEMBL18029528 0.84 HCAR2 (0.36) GAAHTTSMN1; SMN2HCAR2
SCHEMBL17991875 0.84 HCAR2 (0.49) HCAR2
SCHEMBL17991871 0.82 HTT (0.34) HTTSMN1; SMN2HCAR2
SCHEMBL18135135 0.82 HCAR2 (0.35) GAAHTTSMN1; SMN2HCAR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925191-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2018-03-27 — — US disclosed
US-20160297770-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-10-13 — — US disclosed
US-20160296522-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-10-13 — — US disclosed
WO-2016133832-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-25 — — WO disclosed
US-9409872-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-08-09 — — 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 (2 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-20160297770-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HPGD 113/4885ALDH1A1 1949/4885TSHR 4688/4885
US-20160296522-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HPGD 113/4885ALDH1A1 1949/4885TSHR 4688/4885

“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.

Send feedback