SCHEMBL3086345

SCHEMBL3086345

CCc1cnc(C(=O)O)c(C(=O)O)c1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.45
GABRD O14764 3/20 0.45
GABRA1 P14867 3/20 0.45
GABRB1 P18505 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
GABRB2 P47870 3/20 0.45
GABRA4 P48169 3/20 0.45
GABRE P78334 3/20 0.45
GABRA6 Q16445 3/20 0.45
GABRG1 Q8N1C3 3/20 0.45
GABRG3 Q99928 3/20 0.45
GABRQ Q9UN88 3/20 0.45
PARP1 P09874 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 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
SCHEMBL351540 0.98 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3086351 0.96 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Nitric Acid SCHEMBL7049249 0.89 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9632787 0.88 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9630611 0.86 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29619789 0.85 DHODH (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28965796 0.85 DHODH (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9839363 0.84 SMN1; SMN2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28983540 0.83 CYP2C9 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30924884 0.83 CYP2C9 (0.46) GABRPGABRDGABRA1GABRB1GABRG2

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-7795439-B2 saponifying a solution of pyridine-2,3-dicarboxylic acid ester with NaOH to form the sodium pyridine-2,3-dicarboxylate, reacting the solution with an oxidizing agent (H2O2, NaClO or NaBrO) to remove impurities, acidifying the solution with H2SO4 to produce pyridine-2,3-dicarboxylic acid herbicide BASF AKTIENGESELLSCHAFT (DE) 2010-09-14 US disclosed
US-20070185331-A1 In-situ treatment of pyridine 2,3-dicarboxylic acid esters with an oxidizing agent BASF AKTIENGESELLSCHAFT (DE) 2007-08-09 US disclosed
EP-1644333-A1 IN-SITU TREATMENT OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH AN OXIDIZING AGENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-12 EP disclosed
WO-2005005391-A1 IN-SITU TREATMENT OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH AN OXIDIZING AGENT BASF AKTIENGESELLSCHAFT (DE) 2005-01-20 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 (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-20070185331-A1 In-situ treatment of pyridine 2,3-dicarboxylic acid esters with an oxidizing agent HAO2, NOX4, IDH2 GABRP 812/4885GABRD 741/4885GABRA1 1485/4885

“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.