SCHEMBL5512652

SCHEMBL5512652

COc1ccc(-c2cc(F)c(NC(=O)C3CCCC3C(=O)O)c(F)c2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
DGAT1 O75907 1/20 0.47
GAA P10253 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPP1CA P62136 1/20 0.42
ERN1 O75460 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CYP2C19 P33261 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
SCHEMBL5512655 0.86 DHODH (0.56) DHODHMEN1KMT2ANPSR1DGAT1
SCHEMBL5509544 0.78 DHODH (0.57) DHODHMEN1KMT2AGLAHTT
SCHEMBL502677 0.77 DHODH (1.00) DHODH
SCHEMBL5514725 0.76 DHODH (0.57) DHODHMEN1KMT2ADGAT1GAA
SCHEMBL5516857 0.74 DHODH (0.60) DHODHMEN1KMT2ANPSR1DGAT1
SCHEMBL5511052 0.74 DHODH (0.60) DHODHMEN1KMT2ANPSR1DGAT1
SCHEMBL14074946 0.74 CYP2C19 (0.50) DHODHMEN1KMT2ANPSR1HTT
SCHEMBL5509135 0.73 DHODH (0.62) DHODHMEN1KMT2AGLAALDH1A1
SCHEMBL14074979 0.72 DHODH (0.59) DHODHMEN1KMT2ANPSR1GAA
SCHEMBL1124110 0.72 DHODH (0.66) DHODHMEN1KMT2ASMN1; SMN2ALDH1A1

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 1/4885MEN1 4362/4885KMT2A 3407/4885

“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.