SCHEMBL17619384

SCHEMBL17619384

CCOC(=O)C(=O)/C=C(\O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL16883788 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL16501577 0.80 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4575182 0.79 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14200168 0.78
SCHEMBL2593351 0.77 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2593347 0.77 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL17229336 0.77 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL951670 0.77 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL951671 0.77 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL5960429 0.77 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 US disclosed
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO 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-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 NPSR1 2507/4885GLO1 1510/4885ALDH1A1 1902/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 NPSR1 2507/4885GLO1 1510/4885ALDH1A1 1902/4885

“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.