SCHEMBL502990

SCHEMBL502990

COc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(OC)c2)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.77
NR4A2 P43354 2/20 0.60
JMJD7 P0C870 1/20 0.60
NR4A1 P22736 1/20 0.60
NR4A3 Q92570 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
AHR P35869 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL3914884 0.92 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL19417217 0.89 DHODH (0.70) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3926145 0.88 DHODH (0.82) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL17067863 0.88 DHODH (0.60) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924749 0.88 DHODH (0.72) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL503290 0.87 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924727 0.86 DHODH (0.84) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252179 0.84 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL502883 0.83 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL502677 0.83 DHODH (1.00) 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US claimed
EP-2966058-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2017-10-04 EP disclosed
EP-2966058-A1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2016-01-13 EP disclosed
EP-2588446-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2015-09-09 EP disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 US disclosed
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-09 US disclosed
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-09 US disclosed
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-09 US 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-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US 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
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 WO disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 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 (3 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-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents ARG1, CD14, RXRG DHODH 1882/4885NR4A2 125/4885JMJD7 1010/4885

“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.