SCHEMBL4879360

SCHEMBL4879360

CCOC(=O)c1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)noc1C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 10/20 0.68
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
NPC1 O15118 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
PTBP1 P26599 1/20 0.46

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
SCHEMBL2780502 0.89 GPBAR1 (0.58) MLYCDPOLBALOX15TSHRMAPK1
SCHEMBL2777734 0.85 POLB (0.54) MLYCDPOLBALOX15TSHRMAPK1
SCHEMBL286034 0.82 ALDH1A1 (0.61) POLBALOX15TSHRMAPK1LMNA
SCHEMBL2923610 0.82 ATM (0.64) POLBALOX15TSHRMAPK1LMNA
SCHEMBL4424796 0.81 MLYCD (0.52) MLYCDPOLBLMNAKDM4EALDH1A1
SCHEMBL4880019 0.81 MLYCD (1.00) MLYCDLMNA
SCHEMBL3294932 0.81 POLB (0.57) POLBALOX15TSHRMAPK1LMNA
SCHEMBL13674 0.80 CACNA1F (0.62) POLBALOX15TSHRMAPK1LMNA
SCHEMBL286360 0.80 GPBAR1 (0.62) POLBALOX15TSHRMAPK1LMNA
SCHEMBL2776267 0.80 TSHR (0.70) POLBALOX15TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US disclosed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US disclosed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US disclosed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US disclosed
EP-1377290-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2006-10-04 EP disclosed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US disclosed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP disclosed
WO-2003090732-A1 LXR MODULATORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 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-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ACACA, ME1 MLYCD 1/4885POLB 1924/4885ALOX15 780/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885POLB 1884/4885ALOX15 793/4885

“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.