SCHEMBL4883103

SCHEMBL4883103

CCCCN(C(=S)N(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 12/20 0.63
NR1H2 P55055 8/20 0.53
NR1H3 Q13133 8/20 0.53
NR1I2 O75469 1/20 0.48

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
SCHEMBL4880666 0.88 MLYCD (0.62) MLYCDNR1H2NR1H3NR1I2
SCHEMBL2945327 0.84 MLYCD (0.75) MLYCDNR1H2NR1H3
SCHEMBL2942014 0.78 MLYCD (0.70) MLYCDNR1H2NR1H3
Hydrochloric Acid SCHEMBL4420053 0.78 MLYCD (0.63) MLYCDNR1H2NR1H3NR1I2
SCHEMBL6843869 0.77 MLYCD (1.00) MLYCD
Hydrochloric Acid SCHEMBL4885341 0.77 MLYCD (0.62) MLYCDNR1H2NR1H3NR1I2
Hydrochloric Acid SCHEMBL4420049 0.77 MLYCD (0.62) MLYCDNR1H2NR1H3NR1I2
SCHEMBL14255600 0.77 MLYCD (0.62) MLYCDNR1H2NR1H3NR1I2
SCHEMBL4875544 0.77 MLYCD (0.64) MLYCDNR1H2NR1H3
Hydrochloric Acid SCHEMBL4885336 0.76 MLYCD (0.60) MLYCDNR1H2NR1H3NR1I2

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 10 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-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 1/4885NR1H2 1305/4885NR1H3 1471/4885
US-20080070869-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H2 1233/4885NR1H3 1405/4885

“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.