SCHEMBL6582452

SCHEMBL6582452

CS(=O)(=O)c1ccc(CCSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.72
PTGS1 P23219 6/20 0.69
PTGS2 P35354 6/20 0.69
MAPK11 Q15759 4/20 0.64
ALDH1A1 P00352 1/20 0.64
ALOX5 P09917 1/20 0.64
CSNK1A1 P48729 1/20 0.64
CSNK1D P48730 1/20 0.64
CSNK1E P49674 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CSNK1A1L Q8N752 1/20 0.64
MAPK13 O15264 3/20 0.58
MAPK12 P53778 3/20 0.58

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
SCHEMBL6581455 0.90 MAPK14 (0.69) MAPK14PTGS1PTGS2MAPK11ALDH1A1
SCHEMBL6581506 0.90 MAPK14 (0.72) MAPK14PTGS1PTGS2MAPK11ALDH1A1
SCHEMBL4464755 0.85 MAPK14 (0.80) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL6581216 0.85 PTGS2 (0.58) MAPK14PTGS1PTGS2MAPK11ALDH1A1
SCHEMBL6578944 0.85 MAPK14 (0.73) MAPK14MAPK11ALOX5CSNK1A1CSNK1D
SCHEMBL4458842 0.84 MAPK14 (0.69) MAPK14MAPK11MAPK13MAPK12
SCHEMBL7090797 0.81 PTGS1 (0.74) MAPK14PTGS1PTGS2MAPK11MAPK13
SCHEMBL4459150 0.80 MAPK14 (0.76) MAPK14MAPK11ALOX5MAPK13MAPK12
SCHEMBL4468187 0.80 MAPK14 (0.71) MAPK14PTGS1PTGS2MAPK11ALDH1A1
SCHEMBL6430123 0.80 MAPK14 (0.71) MAPK14PTGS1PTGS2MAPK11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP claimed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US claimed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP claimed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 WO claimed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 WO disclosed