Sugi Predict

Sugi Predict / Compounds / SCHEMBL6435523

SCHEMBL6435523

SCHEMBL6435523

Cc1onc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ PTGS2 P35354 5/20 0.59
▸ MT-CO2 P00403 3/20 0.59
▸ PKM P14618 2/20 0.55
▸ EDNRB P24530 5/20 0.52
▸ EDNRA P25101 5/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ PTGS1 P23219 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 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
Benzenesulfonamide SCHEMBL7180310 0.93 PTGS2 (0.62) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8477521 0.93 ALDH1A1 (0.58) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8473190 0.92 ALDH1A1 (0.54) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8473859 0.90 PTGS2 (0.53) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8474683 0.90 IDH1 (0.53) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8477990 0.90 PTGS2 (0.53) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8477626 0.88 ALDH1A1 (0.51) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8480074 0.88 ALDH1A1 (0.51) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8477907 0.88 KMT2A (0.52) ALDH1A1NPSR1PTGS2MT-CO2PKM
SCHEMBL8475736 0.87 ALDH1A1 (0.59) ALDH1A1NPSR1PTGS2MT-CO2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1805744-B New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates RICHTER GEDEON VEGYESZET 2010-11-03 — — CN claimed
CN-1805744-A New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates RICHTER GEDEON VEGYESZET (HU) 2006-07-19 — — CN claimed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 — — US claimed
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 — — US claimed
CN-109134395-A The synthetic method of Parecoxib Sodium Isomeric impurities 珠海赛隆药业股份有限公司 2019-01-04 — — CN disclosed
CN-1805744-B New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates RICHTER GEDEON VEGYESZET 2010-11-03 — — CN disclosed
CN-1805744-A New n-hydroxy-4-(3-phenyl-5-methyl-isoxazole-4-yl)-benzenesulfonamide solvates RICHTER GEDEON VEGYESZET (HU) 2006-07-19 — — CN disclosed
WO-2005020895-A2 METHOD FOR THE TREATMENT OR PREVENTION OF BONE DISORDERS WITH A CYCLOOXYGENASE-2 INHIBITOR ALONE AND IN COMBINATION WITH A BONE DISORDER TREATMENT AGENT AND COMPOSITIONS THEREWITH PHARMACIA CORPORATION (US) 2005-03-10 — — WO disclosed
US-5932598-A NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS G. D. SEARLE & CO. (US) 1999-08-03 — — US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 — — US disclosed
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 — — US disclosed