SCHEMBL18133598

SCHEMBL18133598

C=C1NC(=O)C=C(CCOC(=O)/C=C/C(=O)OCc2oc(=O)oc2C)N1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ MET P08581 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 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
SCHEMBL17988557 0.92 — —
SCHEMBL18133591 0.81 HCAR2 (0.39) CA12CA1CA7CA9CA14
SCHEMBL17988533 0.79 — —
SCHEMBL18133590 0.79 HCAR2 (0.35) CA12CA1METCA4CA6
SCHEMBL18133599 0.78 HCAR2 (0.49) CA12CA1METCA4CA6
SCHEMBL18133601 0.77 HCAR2 (0.51) CA12CA4CA6CA5ACA7
SCHEMBL18133593 0.76 HCAR2 (0.36) CA12CA1CA7CA9CA14
SCHEMBL18133592 0.76 HCAR2 (0.33) —
SCHEMBL18133596 0.76 TSHR (0.39) —
SCHEMBL17988540 0.75 HCAR2 (0.40) CA12CA1CA7CA9CA14

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 3 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

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 CA12 1851/4885CA1 578/4885MET 4514/4885
US-20160296522-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CA12 1851/4885CA1 578/4885MET 4514/4885

“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