SCHEMBL4424796

SCHEMBL4424796

CCOC(=O)c1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)noc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 10/20 0.52
POLB P06746 2/20 0.43
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
RORC P51449 1/20 0.41
SLC26A6 Q9BXS9 1/20 0.41
LMNA P02545 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MAPT P10636 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL4879360 0.81 MLYCD (0.68) MLYCDPOLBKDM4EALDH1A1HPGD
SCHEMBL2930011 0.76 POLB (0.63) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL31526266 0.75 PTGS1 (0.72) POLBPTGS1KDM4EALDH1A1HPGD
SCHEMBL2296809 0.71 PTGS1 (0.62) POLBPTGS1KDM4EALDH1A1HPGD
SCHEMBL2761365 0.71 PTGS1 (0.62) POLBPTGS1KDM4EALDH1A1HPGD
SCHEMBL2780502 0.71 GPBAR1 (0.58) MLYCDPOLBKDM4EALDH1A1HPGD
SCHEMBL29897249 0.70 CDC7 (0.47) POLBKDM4EALDH1A1CDC7DBF4
SCHEMBL30740873 0.69 TARBP2 (0.52) MLYCDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29158758 0.69 TARBP2 (0.52) MLYCDKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1225880 0.69 POLB (0.56) POLBPTGS1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4267920-B2 2009-05-27 JP claimed
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-20 US claimed
US-7279477-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-09 US claimed
JP-2004523542-A 2004-08-05 JP claimed
US-20040063671-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-01 US claimed
EP-1377290-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-07 EP claimed
WO-2002064136-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-22 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 (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 1924/4885PTGS1 907/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885POLB 1884/4885PTGS1 1135/4885

“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.