SCHEMBL4772296

SCHEMBL4772296

Cc1cc(-c2ccc(F)cc2)cc(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.51
MCL1 Q07820 7/20 0.47
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MMP13 P45452 1/20 0.42
DHODH Q02127 1/20 0.42
HAO2 Q9NYQ3 1/20 0.42

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
SCHEMBL17594949 0.88 SCN9A (0.56) SCN9AMCL1BCL2L1BADKDM4E
SCHEMBL4777388 0.86 GRM5 (0.44) SCN9AMCL1MMP13DHODH
SCHEMBL4772173 0.84 KMO (0.50) MCL1MMP13DHODH
SCHEMBL4772052 0.84 ALOX15 (0.46) MCL1KDM4E
SCHEMBL4779457 0.83 KMO (0.51) MMP13DHODH
SCHEMBL3564371 0.83 RXRA (0.47) SCN9AMCL1DHODH
SCHEMBL4778549 0.81 DHODH (0.46) SCN9AMCL1DHODH
SCHEMBL4778187 0.81 CTSA (0.41) SCN9AMMP13DHODH
SCHEMBL4777638 0.81 MCL1 (0.41) SCN9AMCL1KDM4EMMP13
SCHEMBL4769103 0.81 MCL1 (0.64) MCL1KDM4E

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 SCN9A 1437/4885MCL1 3453/4885BCL2L1 4373/4885

“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.