SCHEMBL5217865

SCHEMBL5217865

CO/N=C(\C(=O)OC)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KMT2A Q03164 1/20 0.45
MAOB P27338 1/20 0.43
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 6/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 3/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PSMD14 O00487 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL5217871 1.00 CES2 (0.50) CES2CES1KMT2AMAOBRAB9A
SCHEMBL17426488 1.00 CES2 (0.50) CES2CES1KMT2AMAOBRAB9A
SCHEMBL27816463 0.87 CES2 (0.47) CES2CES1KMT2AMAOBRAB9A
SCHEMBL16072807 0.86 CES2 (0.43) CES2CES1KMT2AMAOBRAB9A
SCHEMBL5185688 0.85 CES2 (0.52) CES2CES1KMT2AMAOBRAB9A
SCHEMBL2812477 0.85 CES2 (0.52) CES2CES1KMT2AMAOBRAB9A
SCHEMBL8170511 0.85 CES2 (0.52) CES2CES1KMT2AMAOBRAB9A
SCHEMBL20863020 0.85 CES2 (0.52) CES2CES1KMT2AMAOBRAB9A
SCHEMBL13983961 0.85 CES2 (0.52) CES2CES1KMT2AMAOBRAB9A
SCHEMBL11457463 0.85 CES2 (0.52) CES2CES1KMT2AMAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166928-B1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2019-04-03 EP disclosed
EP-3166928-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS Dow AgroSciences LLC (US) 2017-05-17 EP disclosed
US-9353060-B2 Process for the preparation of 3-hydroxypicolinic acids DOW AGROSCIENCES LLC (US) 2016-05-31 US disclosed
US-9353060-B2 Process for the preparation of 3-hydroxypicolinic acids DOW AGROSCIENCES LLC (US) 2016-05-31 US disclosed
US-20160009647-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS CORTEVA AGRISCIENCE LLC 2016-01-14 US disclosed
US-20160009647-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS CORTEVA AGRISCIENCE LLC 2016-01-14 US disclosed
WO-2016007532-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed
WO-2016007532-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS DOW AGROSCIENCES LLC (US) 2016-01-14 WO disclosed
US-20070275954-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2007-11-29 US disclosed
EP-1751119-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2007-02-14 EP disclosed
WO-2005111001-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2005-11-24 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-20070275954-A1 Novel Fused Heterocycles and Uses Thereof VIP, CCKBR, HRH2 CES2 1687/4885CES1 1016/4885KMT2A 3978/4885
US-20160009647-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXYPICOLINIC ACIDS HPD, HAAO, CYP4A11 CES2 1324/4885CES1 1840/4885KMT2A 1590/4885

“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.