SCHEMBL18009093

SCHEMBL18009093

CC(C)OC(=O)/C=C/C(=O)OCC1NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
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
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
GAA P10253 2/20 0.33
XPO1 O14980 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRA P10827 1/20 0.31

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
SCHEMBL18007465 0.88 GAA (0.39) HCAR2MEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL18009344 0.88 GAA (0.39) HCAR2MEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL18007464 0.88 GAA (0.39) HCAR2MEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL18009123 0.84 HCAR2 (0.39) HCAR2MEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL18009089 0.84 HCAR2 (0.47) HCAR2MEN1KMT2ACA12CA1
SCHEMBL18009125 0.84 HCAR2 (0.39) HCAR2MEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL18009090 0.84 HCAR2 (0.39) HCAR2MEN1KMT2ASMN1; SMN2ADAM17
SCHEMBL17966450 0.84 HCAR2 (0.42) HCAR2MEN1KMT2ASMN1; SMN2ADAMTS5
SCHEMBL17969458 0.84 HCAR2 (0.42) HCAR2MEN1KMT2ASMN1; SMN2ADAMTS5
SCHEMBL17969461 0.84 SMN1; SMN2 (0.32) SMN1; SMN2MMP2ADAM17ADAMTS5GAA

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-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
WO-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 WO disclosed
US-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-08-11 US disclosed
US-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-08-11 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-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885MEN1 3008/4885KMT2A 1588/4885

“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.