SCHEMBL5509137

SCHEMBL5509137

CCOc1cccc(-c2cc(F)c(NC(=O)C3CCCC3OC=O)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.55
FFAR4 Q5NUL3 2/20 0.41
NR4A2 P43354 3/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5509135 0.86 DHODH (0.62) DHODHFFAR4NR4A2RXRARXRB
SCHEMBL5509546 0.84 DHODH (0.52) DHODHNR4A2SMN1; SMN2
SCHEMBL5511055 0.79 DHODH (0.54) DHODHNR4A2SMN1; SMN2
SCHEMBL5512655 0.75 DHODH (0.56) DHODH
SCHEMBL5515802 0.71 DHODH (0.61) DHODHNR4A2
SCHEMBL502818 0.71 DHODH (1.00) DHODHNR4A2
SCHEMBL5521885 0.70 DHODH (0.72) DHODHNR4A2
SCHEMBL5517278 0.70 DHODH (0.72) DHODHNR4A2
SCHEMBL23580761 0.70 RXRA (0.56) DHODHFFAR4RXRARXRBSMN1; SMN2
SCHEMBL1336975 0.70 DHODH (0.79) DHODHNR4A2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070224672-A1 Method of Identifying Inhibitors of DHODH LEBAN JOHANN 2007-09-27 US disclosed
US-7247736-B2 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-07-24 US disclosed
US-20070027193-A1 Method of identifying inhibitors of DHODH 4SC AG (DE) 2007-02-01 US 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 (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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885FFAR4 4559/4885NR4A2 2196/4885

“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.