SCHEMBL5515802

SCHEMBL5515802

O=C(O)C1CCCC1C(=O)Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.61
DGAT1 O75907 2/20 0.49
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR4A2 P43354 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL14422942 0.89 DHODH (0.62) DHODHDGAT1MEN1ALDH1A1KMT2A
SCHEMBL5515410 0.87 DHODH (0.62) DHODHDGAT1MEN1ALDH1A1KMT2A
SCHEMBL5509135 0.84 DHODH (0.62) DHODHMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL13370860 0.77 DHODH (0.55) DHODHNR4A2
SCHEMBL5511052 0.76 DHODH (0.60) DHODHDGAT1MEN1ALDH1A1KMT2A
SCHEMBL249081 0.76 DHODH (1.00) DHODHNR4A2
SCHEMBL5516857 0.76 DHODH (0.60) DHODHDGAT1MEN1ALDH1A1KMT2A
SCHEMBL1336887 0.74 DHODH (0.72) DHODHNR4A2
SCHEMBL21067505 0.74 DHODH (0.68) DHODHNR4A2
SCHEMBL5514725 0.73 DHODH (0.57) DHODHDGAT1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010052027-A1 COMBINATIONAL THERAPY COMPRISING DHODH INHIBITOR AND METHOTREXATE FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2010-05-14 WO disclosed
US-20070224672-A1 Method of Identifying Inhibitors of DHODH LEBAN JOHANN 2007-09-27 US disclosed
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
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP disclosed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 WO 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 1/4885DGAT1 2193/4885MEN1 4362/4885

“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.