SCHEMBL4772173

SCHEMBL4772173

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.50
MCL1 Q07820 5/20 0.45
MMP13 P45452 1/20 0.42
LDHA P00338 1/20 0.41
IGFBP3 P17936 1/20 0.40
DHODH Q02127 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
XDH P47989 1/20 0.39
EPRS1 P07814 1/20 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
SCHEMBL4774543 0.87 KMO (0.53) KMOMCL1
SCHEMBL4777638 0.85 MCL1 (0.41) KMOMCL1MMP13
SCHEMBL4772356 0.84 KMO (0.55) KMOMMP13
SCHEMBL4772296 0.84 SCN9A (0.51) MCL1MMP13DHODH
SCHEMBL4777616 0.82 KMO (0.44) KMOMCL1
SCHEMBL4772052 0.81 ALOX15 (0.46) KMOMCL1IGFBP3
SCHEMBL4777388 0.80 GRM5 (0.44) KMOMCL1MMP13LDHADHODH
SCHEMBL4779457 0.80 KMO (0.51) KMOMMP13LDHADHODH
SCHEMBL4778187 0.79 CTSA (0.41) KMOMMP13DHODH
SCHEMBL4778549 0.79 DHODH (0.46) KMOMCL1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1037/4885MCL1 3453/4885MMP13 4719/4885

“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.