SCHEMBL5509546

SCHEMBL5509546

CCOc1ccccc1-c1cc(F)c(NC(=O)C2CCCC2OC=O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.52
NR4A2 P43354 1/20 0.41
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL5509544 0.86 DHODH (0.57) DHODHNR4A2TSHRMEN1KMT2A
SCHEMBL5514729 0.84 DHODH (0.50) DHODHNR4A2MEN1KMT2AALDH1A1
SCHEMBL5509137 0.84 DHODH (0.55) DHODHNR4A2SMN1; SMN2
SCHEMBL5512655 0.80 DHODH (0.56) DHODHTSHRMAPTMEN1KMT2A
SCHEMBL251960 0.72 DHODH (0.79) DHODHNR4A2
SCHEMBL5509135 0.69 DHODH (0.62) DHODHNR4A2MEN1KMT2AALDH1A1
SCHEMBL5519146 0.69 RAB9A (0.61) SMN1; SMN2MAPTMEN1KMT2APOLB
SCHEMBL1124252 0.68 DHODH (1.00) DHODHNR4A2TSHRMAPTMEN1
SCHEMBL5511055 0.68 DHODH (0.54) DHODHNR4A2SMN1; SMN2
SCHEMBL5514725 0.68 DHODH (0.57) DHODHMAPK1MAPTMEN1KMT2A

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 1/4885NR4A2 2196/4885MAPK1 4267/4885

“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.