SCHEMBL4397456

SCHEMBL4397456

COC(=O)C1=C(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2F)CCC1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.84
NR4A2 P43354 7/20 0.84
NR4A1 P22736 2/20 0.84
JMJD7 P0C870 1/20 0.84
NR4A3 Q92570 1/20 0.84
NR1H4 Q96RI1 1/20 0.84

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
Vidofludimus SCHEMBL247888 0.91 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL25834765 0.91 DHODH (0.84) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL29352865 0.91 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL28322326 0.91 DHODH (0.76) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL28323370 0.90 DHODH (0.82) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL25839936 0.90 DHODH (0.82) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL28974266 0.90 DHODH (0.98) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL30309879 0.89 DHODH (0.81) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL30209677 0.89 DHODH (0.79) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL24180482 0.87 DHODH (0.76) DHODHNR4A2NR4A1JMJD7NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110251498-A One kind adjusts active compound of Farnesoid X receptor and application thereof 厦门大学 2019-09-20 CN claimed
WO-2018177151-A1 COMPOUNDS MODULATING ACTIVITY OF FARNESOID X RECEPTOR AND METHODS FOR THE USE THEREOF XIAMEN UNIVERSITY (CN) 2018-10-04 WO claimed
EP-1581477-B1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-02 EP 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
US-7071355-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-07-04 US disclosed
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP disclosed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US 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 (2 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 2196/4885NR4A1 2976/4885
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA DHODH 2089/4885NR4A2 8/4885NR4A1 11/4885

“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.