SCHEMBL3919682

SCHEMBL3919682

CCOc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.73
NR4A2 P43354 10/20 0.73
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
NR4A1 P22736 2/20 0.57
JMJD7 P0C870 1/20 0.57
NR4A3 Q92570 1/20 0.57
NR1H4 Q96RI1 1/20 0.57

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
SCHEMBL254247 0.85 DHODH (0.84) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL31244586 0.84 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL502900 0.84 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL502818 0.84 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL248265 0.82 DHODH (0.76) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL1337552 0.81 RXRA (0.61) DHODHRXRARXRBNR1H4
SCHEMBL249112 0.80 DHODH (1.00) DHODHNR4A2
SCHEMBL3990108 0.80 DHODH (0.73) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL4398584 0.79 DHODH (0.75) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3924977 0.79 DHODH (0.63) DHODHNR4A2

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
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
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 CN 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 (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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH DHODH 1/4885NR4A2 800/4885RXRA 1063/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885RXRA 806/4885

“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.