SCHEMBL2945810

SCHEMBL2945810

CC(C)CCN(CCC(C)C)S(=O)(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORA P35398 5/20 0.49
NR1H3 Q13133 3/20 0.48
MLYCD O95822 7/20 0.47
RORC P51449 6/20 0.44
RORB Q92753 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
KIF11 P52732 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2943579 0.90 MLYCD (0.52) RORANR1H3MLYCDRORCRORB
SCHEMBL2940660 0.82 RORA (0.55) RORANR1H3MLYCDRORCRORB
SCHEMBL2940775 0.78 RORA (0.50) RORANR1H3MLYCDRORCRORB
SCHEMBL11412249 0.73 RORA (0.63) RORANR1H3RORCRORBSMN1; SMN2
SCHEMBL2944332 0.72 NR1H3 (0.66) RORANR1H3MLYCDRORCRORB
SCHEMBL2944177 0.71 NR1H3 (0.51) NR1H3MLYCDSMN1; SMN2NR1H2GAA
SCHEMBL12334564 0.70 NR1H3 (0.59) RORANR1H3MLYCDRORCRORB
SCHEMBL11424113 0.70 RORA (0.56) RORANR1H3RORCRORBSMN1; SMN2
SCHEMBL3235447 0.68 MLYCD (0.59) RORAMLYCDRORCSMN1; SMN2NR1H4
SCHEMBL2943898 0.68 RORA (0.53) RORANR1H3RORCRORBSMN1; SMN2

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 RORA 2055/4885NR1H3 1227/4885MLYCD 6/4885

“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.