SCHEMBL517414

SCHEMBL517414

COc1ccccc1-c1cc(F)c(N(F)C(=O)C2=C(C(=O)O)CCC2)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.53
NR4A2 P43354 6/20 0.46
JMJD7 P0C870 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PIN1 Q13526 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL517921 0.82 DHODH (0.53) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL1124231 0.79 DHODH (0.55) DHODH
SCHEMBL3914869 0.79 DHODH (0.36) DHODHNR4A2
SCHEMBL517490 0.74 DHODH (0.55) DHODHNR4A2
SCHEMBL501743 0.69 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253636 0.69 DHODH (0.64) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924667 0.68 DHODH (0.55) DHODHNR4A2
SCHEMBL3917822 0.68 DHODH (0.44) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252035 0.68 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3914908 0.67 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015154820-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GMBH (AT) 2015-10-15 WO claimed
US-8354433-B2 Anti-inflammatory agents as virostatic compounds 4SC AG (DE) 2013-01-15 US claimed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US claimed
EP-2427186-B1 DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS PANOPTES PHARMA GES M B H (AT) 2022-01-12 EP disclosed
US-9795590-B2 Anti-inflammatory agents as virostatic compounds PANOPTES PHARMA GMBH (AT) 2017-10-24 US disclosed
US-20170027905-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS Panoptes Hparma GmbH (AT) 2017-02-02 US disclosed
US-8354433-B2 Anti-inflammatory agents as virostatic compounds 4SC AG (DE) 2013-01-15 US disclosed
US-20120028985-A1 COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE 4SC AG (DE) 2012-02-02 US disclosed
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2010-11-04 US disclosed
EP-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 EP disclosed
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 US disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 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 (5 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH DHODH 1/4885NR4A2 800/4885JMJD7 1570/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885JMJD7 1086/4885
US-20120028985-A1 COMBINATIONAL THERAPY FOR TREATING AUTOIMMUNE DISEASE HLA-DRB1, IL2, SSB DHODH 2305/4885NR4A2 2709/4885JMJD7 2523/4885
US-20170027905-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, RPL35, NFKBIA DHODH 2832/4885NR4A2 3102/4885JMJD7 3070/4885
US-20100280081-A1 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS TNF, MIF, IL1B DHODH 2796/4885NR4A2 2483/4885JMJD7 4041/4885

“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.