SCHEMBL3401792

SCHEMBL3401792

O=C(O)CCCCN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
MCHR1 Q99705 12/20 0.37
MTOR P42345 1/20 0.36
CSNK1D P48730 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL3406516 0.89 BCHE (0.38) EPHX2L3MBTL1
SCHEMBL3406497 0.88 LDHA (0.34) EPHX2
SCHEMBL3404511 0.86 S1PR1 (0.39) EPHX2MLYCD
SCHEMBL3405122 0.86 LTA4H (0.33) EPHX2MCHR1CSNK1D
SCHEMBL3405793 0.85 POLB (0.36) EPHX2
SCHEMBL3401950 0.85 MCHR1 (0.41) EPHX2MCHR1MTORCSNK1D
SCHEMBL3404471 0.85 CA1 (0.41)
SCHEMBL3406660 0.84 KMT2A (0.34) EPHX2
SCHEMBL3405767 0.84 PPARG (0.37) MCHR1CSNK1DMLYCD
SCHEMBL2867427 0.84 EPHX2 (0.45) EPHX2MCHR1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US claimed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO claimed

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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 EPHX2 1552/4885MCHR1 858/4885MTOR 1015/4885

“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.