SCHEMBL1123965

SCHEMBL1123965

COc1cccc(-c2ccc(NC(=O)c3cscc3C(=O)O)c(F)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.74
NR4A2 P43354 4/20 0.64
JMJD7 P0C870 1/20 0.64
NR4A1 P22736 1/20 0.64
NR4A3 Q92570 1/20 0.64
NR1H4 Q96RI1 1/20 0.64
ABCB1 P08183 4/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL1336884 0.88 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL517692 0.84 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL1124038 0.79 DHODH (0.59) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL29352865 0.78 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL247888 0.78 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL14418192 0.77 DHODH (0.73) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL28974266 0.77 DHODH (0.98) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL14418145 0.77 DHODH (0.67) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL517803 0.77 DHODH (0.74) DHODHNR4A2
SCHEMBL14422941 0.76 DHODH (0.63) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO disclosed
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP disclosed
EP-2283898-A1 Aromatic compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2011-02-16 EP disclosed
US-7365094-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-04-29 US 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
EP-1581478-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2005-10-05 EP disclosed
EP-1578741-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-09-28 EP disclosed
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2004-09-30 US disclosed
WO-2004056747-A1 DHODH-INHIBITORS AND METHOD FOR THEIR IDENTIFICATION 4SC AG (DE) 2004-07-08 WO disclosed
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 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 (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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885NR4A2 2196/4885JMJD7 2100/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885NR4A2 2728/4885JMJD7 2925/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885NR4A2 332/4885JMJD7 3206/4885

“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.