SCHEMBL4772356

SCHEMBL4772356

Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)cc(C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.55
MPL P40238 3/20 0.44
RBP4 P02753 6/20 0.43
TTR P02766 2/20 0.41
MMP13 P45452 2/20 0.41
GRM2 Q14416 2/20 0.40
KIF11 P52732 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
GRIN2B Q13224 2/20 0.39

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
SCHEMBL4772173 0.84 KMO (0.50) KMOMMP13
SCHEMBL4774543 0.81 KMO (0.53) KMO
SCHEMBL3564371 0.80 RXRA (0.47) RXRARXRB
SCHEMBL4772296 0.78 SCN9A (0.51) MMP13
SCHEMBL1796619 0.78 GRM5 (0.44) MMP13
SCHEMBL1798493 0.78 GRM5 (0.43) KMOMPLMMP13
SCHEMBL4772425 0.77 KMO (0.54) KMOMMP13KIF11RXRARXRB
SCHEMBL4777638 0.76 MCL1 (0.41) KMORBP4MMP13
SCHEMBL4772052 0.75 ALOX15 (0.46) KMO
SCHEMBL4777388 0.75 GRM5 (0.44) KMOMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN claimed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN claimed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 US claimed
CN-101384554-B Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE 2012-08-08 CN disclosed
CN-101384554-A Pyridine-2-carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1987003-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093542-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2007-08-23 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-20070197553-A1 4-Aryl-pyridine-2-carboxyamide derivatives GRM2, GRM1, GRM3 KMO 1037/4885MPL 1888/4885RBP4 3108/4885

“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.