SCHEMBL2818235

SCHEMBL2818235

NC(=O)c1nc(-c2ccc(C(=O)O)cc2)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.56
P2RY14 Q15391 3/20 0.49
DGAT1 O75907 1/20 0.46
CHEK2 O96017 2/20 0.46
KIF11 P52732 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
PARP1 P09874 1/20 0.43
MTOR P42345 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MAPT P10636 1/20 0.42
CA9 Q16790 1/20 0.42
PIN1 Q13526 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
SCHEMBL2812631 0.87 EPHX2 (0.44) EPHX2CHEK2KIF11PARP1MTOR
SCHEMBL2819439 0.84 IDH1 (0.49) EPHX2P2RY14CHEK2KIF11
SCHEMBL2816965 0.82 EPHX2 (0.53) EPHX2P2RY14NR1H4MTORCA12
SCHEMBL7877746 0.77 EPHX2 (0.90) EPHX2NR1H4MTORCA12CA1
SCHEMBL2814469 0.75 EPHX2 (0.48) EPHX2KIF11MTORCA12CA1
SCHEMBL2812619 0.75 KCNMA1 (0.52) CHEK2MAPT
SCHEMBL2814672 0.74 HPSE (0.52) CHEK2KIF11PARP1CA2MAPT
SCHEMBL2816862 0.74 EPHX2 (0.51) EPHX2KIF11PARP1MTORCA12
SCHEMBL2812870 0.73 EPHX2 (0.43) EPHX2MTOR
SCHEMBL2819274 0.73 EPHX2 (0.43) EPHX2MTORCA12CA1CA2

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
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US claimed
US-8362057-B2 Insulin resistance; atherosclerosis; cardiovascular disorders; metabolism disorders MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-01-29 US disclosed
EP-1910310-B1 NOVELIMIDAZOLECARBOXAMIDE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed
US-20080207720-A1 Novel Imidazolecarboxamide Derivatives as Fructose-1,6-Bisphosphatase Inhibitors, and Pharmaceutical Compositions Comprising Same MERCK PATENT GESELLSCHAFT (DE) 2008-08-28 US disclosed
EP-1910310-A1 NOVELIMIDAZOLECARBOXAMIDE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2008-04-16 EP disclosed
WO-2007014619-A1 NOVELIMIDAZOLECARBOXAMIDE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2007-02-08 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 (2 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-20080207720-A1 Novel Imidazolecarboxamide Derivatives as Fructose-1,6-Bisphosphatase Inhibitors, and Pharmaceutical Compositions Comprising Same FBP1, INSR, GPR119 EPHX2 3561/4885P2RY14 657/4885DGAT1 1091/4885
US-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 EPHX2 2238/4885P2RY14 4611/4885DGAT1 4383/4885

“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.