SCHEMBL2814469

SCHEMBL2814469

NC(=O)c1nc(CCC(=O)O)[nH]c1NC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
MTOR P42345 2/20 0.44
FFAR1 O14842 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 1/20 0.43
CA9 Q16790 1/20 0.43
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
KIF11 P52732 1/20 0.40
NAMPT P43490 1/20 0.40
KCNMA1 Q12791 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FPR2 P25090 1/20 0.40
BAZ1A Q9NRL2 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2816862 0.94 EPHX2 (0.51) EPHX2MTORFFAR1CA12CA1
SCHEMBL2816965 0.81 EPHX2 (0.53) EPHX2MTORCA12CA1CA2
SCHEMBL2813899 0.81 EPHX2 (0.46) EPHX2MTORCA12CA1CA2
SCHEMBL2816640 0.80 EPHX2 (0.45) EPHX2MTORCA12CA1CA2
SCHEMBL2813663 0.80 MCHR1 (0.45) MTORNTRK1NTRK2
SCHEMBL2815448 0.80 PPARD (0.46) EPHX2MTOR
SCHEMBL2815366 0.80 IDH1 (0.49) EPHX2FFAR1MAPT
SCHEMBL2817152 0.79 EPHX2 (0.41) EPHX2MTORCA12CA1CA2
SCHEMBL2815430 0.79 FBP1 (0.50) EPHX2MTORCA12CA1CA2
SCHEMBL2812870 0.79 EPHX2 (0.43) EPHX2MTOR

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 2 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 disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 EPHX2 2238/4885MTOR 1794/4885FFAR1 4762/4885

“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.