SCHEMBL7789785

SCHEMBL7789785

CN/N=C(\C(=O)CC(=O)OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TET2 Q6N021 1/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13578878 1.00 GAA (0.38) GAAMGAMSIMGAM2TET2
SCHEMBL10258706 0.84 MGAM (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15828378 0.80
SCHEMBL12522773 0.79 MGAM (0.41) GAAMGAMSIMGAM2TET2
SCHEMBL5433707 0.79 MGAM (0.41) GAAMGAMSIMGAM2TET2
SCHEMBL5433710 0.79 MGAM (0.41) GAAMGAMSIMGAM2TET2
SCHEMBL31484781 0.78 GAA (0.39) GAAMGAMSIMGAM2TET2
SCHEMBL12160451 0.75 GAA (0.46) GAAMGAMSIMGAM2TET2
SCHEMBL393793 0.73 GAA (0.44) GAAKDM4ENPC1ALDH1A1HPGD
SCHEMBL393792 0.73 GAA (0.44) GAAKDM4ENPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8653088-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-7601718-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-13 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 (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-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B GAA 1440/4885MGAM 2909/4885SI 2913/4885

“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.