SCHEMBL15063403

SCHEMBL15063403

CC(=O)Nc1cc(Cl)nc(C(=O)O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
PGK1 P00558 1/20 0.39
S1PR2 O95136 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
GPR35 Q9HC97 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2338797 0.84 ALDH1A1 (0.48) KDM4EHSD17B10PGK1S1PR2ALDH1A1
SCHEMBL32669001 0.84 ALDH1A1 (0.48) KDM4EHSD17B10PGK1S1PR2ALDH1A1
SCHEMBL3840669 0.84 KDM4E (0.43) KDM4EHSD17B10PGK1ALDH1A1KMT2A
SCHEMBL2339598 0.83 TDP1 (0.38) KDM4EHSD17B10S1PR2ALDH1A1KMT2A
SCHEMBL21574055 0.81 ALDH1A1 (0.39) KDM4EHSD17B10PGK1S1PR2ALDH1A1
SCHEMBL21574054 0.81 ALDH1A1 (0.39) KDM4EHSD17B10PGK1S1PR2ALDH1A1
SCHEMBL3839034 0.81 KDM4E (0.41) KDM4EHSD17B10PGK1ALDH1A1KMT2A
Trimethylammonium SCHEMBL27752290 0.80 KDM4E (0.40) KDM4EHSD17B10PGK1ALDH1A1KMT2A
SCHEMBL2339787 0.79 KAT2B (0.36) HSD17B10S1PR2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2342690 0.79 ALDH1A1 (0.40) KDM4EPGK1S1PR2ALDH1A1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797933-B1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2017-08-16 EP claimed
EP-2797932-B1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2017-02-01 EP claimed
EP-2797890-B1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2016-10-05 EP claimed
US-8912339-B2 Methods of forming 4-chloro-2-fluoro-3-substituted-phenylboronic acid pinacol esters and methods of using the same DOW AGROSCIENCES, LLC. (US) 2014-12-16 US claimed
EP-2797890-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE Dow AgroSciences LLC (US) 2014-11-05 EP claimed
EP-2797933-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME Dow AgroSciences LLC (US) 2014-11-05 EP claimed
US-20130172565-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 US claimed
WO-2013101665-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 WO claimed
WO-2013102078-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 WO claimed
EP-2797932-B1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2017-02-01 EP disclosed
EP-2797890-B1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2016-10-05 EP disclosed
US-9376390-B2 Methods of isolating (4-chloro-2-fluoro-3-substituted-phenyl)boronates and methods of using the same DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-20150239843-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL)BORONATES AND METHODS OF USING THE SAME CORTEVA AGRISCIENCE LLC 2015-08-27 US disclosed
US-9045502-B2 Methods of isolating (4-chloro-2-fluoro-3-substituted-phenyl)boronates and methods of using the same DOW AGROSCIENCES LLC (US) 2015-06-02 US disclosed
US-20130172567-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL)BORONATES AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 US disclosed
US-20130172566-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 US disclosed
WO-2013102078-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 WO disclosed
WO-2013101665-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 WO disclosed
WO-2013101987-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME DOW AGROSCIENCES LLC (US) 2013-07-04 WO disclosed
WO-2013102078-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE DOW AGROSCIENCES LLC (US) 2013-07-04 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 (4 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-20130172565-A1 METHODS OF FORMING 4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYLBORONIC ACID PINACOL ESTERS AND METHODS OF USING THE SAME HLCS, PAH, MCOLN3 KDM4E 1754/4885HSD17B10 1376/4885PGK1 1398/4885
US-20130172567-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL)BORONATES AND METHODS OF USING THE SAME CA6, CA3, PAXBP1 KDM4E 280/4885HSD17B10 2951/4885PGK1 1440/4885
US-20130172566-A1 METHODS OF PRODUCING METHYL 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)PYRIDINE-2-CARBOXYLATE KDM6B, JMJD6, MPHOSPH6 KDM4E 61/4885HSD17B10 1829/4885PGK1 1908/4885
US-20150239843-A1 METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL)BORONATES AND METHODS OF USING THE SAME CA6, CA3, PAXBP1 KDM4E 280/4885HSD17B10 2951/4885PGK1 1440/4885

“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.