SCHEMBL649474

SCHEMBL649474

CCOP(=O)(Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1)OCC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 18/20 0.43
FFAR2 O15552 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL1897896 0.82 FFAR2 (0.45) MLYCDFFAR2
SCHEMBL649587 0.71 MLYCD (0.50) MLYCDFFAR2
SCHEMBL3589382 0.70 FFAR2 (0.45) MLYCDFFAR2
SCHEMBL648775 0.69 FFAR2 (0.62) MLYCDFFAR2
SCHEMBL14255602 0.68 NPSR1 (0.54) MLYCD
SCHEMBL647702 0.64 MLYCD (0.50) MLYCDFFAR2
SCHEMBL1512620 0.63 MLYCD (0.50) MLYCD
Aminothiazole SCHEMBL6538274 0.63 MLYCD (0.42) MLYCDFFAR2
SCHEMBL2469989 0.62 MLYCD (0.46) MLYCD
SCHEMBL1897000 0.62 MLYCD (0.49) MLYCDFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP claimed
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP disclosed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US disclosed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 EP disclosed
WO-2003090869-A1 LXR MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2003090869-A1 LXR MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885FFAR2 616/4885KDM4E 961/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA MLYCD 1/4885FFAR2 616/4885KDM4E 961/4885

“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.