SCHEMBL6843322

SCHEMBL6843322

CN(C)C(=O)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.68
MLYCD O95822 3/20 0.65
RORC P51449 2/20 0.58
TSHR P16473 1/20 0.54
TP53 P04637 1/20 0.53
NR1H3 Q13133 2/20 0.50
NR1H2 P55055 1/20 0.50

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
SCHEMBL5352362 0.85 TSHR (0.56) SMN1; SMN2MLYCDTSHRTP53
SCHEMBL134581 0.84 TP53 (0.66) TSHRTP53
SCHEMBL6843427 0.83 SMN1; SMN2 (0.62) SMN1; SMN2MLYCDRORCTP53
SCHEMBL2081375 0.81 SMN1; SMN2 (1.00) SMN1; SMN2MLYCDRORC
SCHEMBL687878 0.80 TSHR (0.79) TSHR
SCHEMBL3434346 0.79 SMN1; SMN2 (0.71) SMN1; SMN2MLYCDRORCNR1H3NR1H2
SCHEMBL9722104 0.79 TSHR (0.61) SMN1; SMN2TSHR
SCHEMBL11582431 0.78 TP53 (0.57) TSHRTP53
SCHEMBL2079990 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MLYCDRORCNR1H3
SCHEMBL11626027 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MLYCDRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 2021/4885MLYCD 6/4885RORC 2163/4885

“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.