SCHEMBL1124227

SCHEMBL1124227

COc1ccccc1-c1c(F)c(F)c(NC(=O)c2ccsc2C(=O)O)c(F)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 1.00
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 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
SCHEMBL18118634 0.81 DHODH (0.80) DHODHTSHRNPSR1
SCHEMBL252035 0.76 DHODH (1.00) DHODH
SCHEMBL1124079 0.75 DHODH (1.00) DHODHKMT2ATSHRMEN1
SCHEMBL1124423 0.74 DHODH (1.00) DHODHKMT2AALDH1A1
SCHEMBL6430181 0.74 DHODH (0.61) DHODHKMT2ANPSR1MEN1
SCHEMBL1124110 0.73 DHODH (0.66) DHODHKMT2AALDH1A1MEN1
SCHEMBL1124081 0.73 DHODH (0.73) DHODHKMT2AMEN1
SCHEMBL18624759 0.72 DHODH (0.85) DHODHTSHRNPSR1
SCHEMBL18624760 0.72 DHODH (0.85) DHODHTSHRNPSR1
SCHEMBL1549482 0.72 DHODH (0.55) DHODHKMT2AALDH1A1MEN1

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 16 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
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
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 1/4885KMT2A 3407/4885TSHR 4749/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885KMT2A 1965/4885TSHR 4829/4885
US-20040192758-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents PPARG, PPARD, PPARA DHODH 3023/4885KMT2A 4427/4885TSHR 2930/4885

“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.