SCHEMBL1124231

SCHEMBL1124231

COc1ccccc1-c1cc(F)c(N(F)C(=O)c2ccsc2C(=O)O)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.55
HSD17B2 P37059 2/20 0.37
HSD17B1 P14061 1/20 0.37
RORC P51449 3/20 0.37
RORB Q92753 3/20 0.37
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CTSA P10619 2/20 0.36
SCN9A Q15858 1/20 0.36
FABP4 P15090 2/20 0.35

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
SCHEMBL517414 0.79 DHODH (0.53) DHODH
SCHEMBL517020 0.74 DHODH (0.58) DHODHCTSA
SCHEMBL31540409 0.73 DHODH (0.55) DHODHHSD17B2HSD17B1RORCRORB
SCHEMBL1549482 0.73 DHODH (0.55) DHODHHSD17B2HSD17B1RORCRORB
SCHEMBL1124227 0.71 DHODH (1.00) DHODHKMT2A
SCHEMBL1124082 0.70 DHODH (0.51) DHODHRORCRORBKMT2AFABP4
SCHEMBL1124079 0.67 DHODH (1.00) DHODHKMT2A
SCHEMBL7070868 0.66 DHODH (0.51) DHODHKMT2AGPR35
SCHEMBL20602290 0.66 EIF4E (0.49) DHODHGPR35
SCHEMBL31586209 0.66 EIF4E (0.49) DHODHGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-20070027193-A1 Method of identifying inhibitors of DHODH DHODH, SQOR, NDUFA5 DHODH 1/4885HSD17B2 356/4885HSD17B1 254/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885HSD17B2 987/4885HSD17B1 931/4885

“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.