SCHEMBL2943136

SCHEMBL2943136

COC(=O)CCCCN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 18/20 0.67
RORC P51449 1/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44

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
SCHEMBL2945812 0.87 MLYCD (0.67) MLYCDRORCNR1H2NR1H3
SCHEMBL2945331 0.85 MLYCD (0.78) MLYCDRORCNR1H2NR1H3
SCHEMBL6846306 0.81 MLYCD (0.74) MLYCD
SCHEMBL2944447 0.81 MLYCD (1.00) MLYCD
SCHEMBL2941949 0.80 MLYCD (1.00) MLYCDRORCNR1H2NR1H3
SCHEMBL2944439 0.77 MLYCD (0.83) MLYCD
SCHEMBL2942152 0.76 MLYCD (0.77) MLYCD
SCHEMBL2944445 0.76 MLYCD (0.63) MLYCDNR1H2NR1H3
SCHEMBL6843689 0.75 MLYCD (1.00) MLYCD
SCHEMBL2938729 0.74 MLYCD (0.77) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4503232-B2 2010-07-14 JP claimed
JP-2004521113-A 2004-07-15 JP claimed
US-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-06 US claimed
EP-1353662-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-10-22 EP claimed
WO-2002058690-A2 METHODS FOR THE TREATMENT OF DISEASES USING MALONYL-COA DECARBOX YLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 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-20040087627-A1 Methods for the treatment of diseases using malonyl-coa decarbox ylase inhibitors ME2, PC, ACACA MLYCD 6/4885RORC 2163/4885NR1H2 1139/4885

“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.