SCHEMBL253636

SCHEMBL253636

COc1ccccc1-c1ccc(OC(=O)C2=C(C(=O)O)CCC2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.64
NR4A2 P43354 4/20 0.55
JMJD7 P0C870 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
FFAR1 O14842 1/20 0.42
PIN1 Q13526 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
NPY2R P49146 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL3914908 0.81 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL501743 0.78 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924727 0.75 DHODH (0.84) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253220 0.74 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL15473774 0.73 DHODH (0.69) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL4389409 0.73 DHODH (0.81) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253264 0.72 DHODH (0.79) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL249278 0.72 DHODH (0.69) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL253352 0.72 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3918122 0.72 DHODH (0.73) 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
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
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
EP-2588447-A1 NOVEL SALTS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2013-05-08 EP 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-20120029034-A1 Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-02 US disclosed
US-20120029034-A1 Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-02 US disclosed
WO-2012001151-A1 NOVEL SALTS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2012-01-05 WO 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-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 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-20120029034-A1 Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents PPARD, PPARG, PPARA DHODH 3085/4885NR4A2 205/4885JMJD7 2178/4885
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.