SCHEMBL7833934

SCHEMBL7833934

COc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.63
NR3C1 P04150 1/20 0.63
AR P10275 1/20 0.63
ESR2 Q92731 1/20 0.63
PLAU P00749 1/20 0.60
PLAT P00750 1/20 0.60
HSD17B2 P37059 1/20 0.58
TSHR P16473 1/20 0.57
RORA P35398 1/20 0.56
RORC P51449 1/20 0.56
NR1H2 P55055 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
FFAR1 O14842 1/20 0.54
CDK1 P06493 1/20 0.54

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
SCHEMBL189309 0.82 PIK3CD (0.70) PGRNR3C1ARESR2KMT2A
SCHEMBL7572438 0.82 SLC20A2 (0.63) PGRNR3C1ARESR2PLAU
SCHEMBL7572806 0.80 NR3C1 (0.69) PGRNR3C1ARESR2HSD17B2
SCHEMBL3762909 0.80 PGR (0.77) PGRNR3C1ARESR2HSD17B2
SCHEMBL8752452 0.79 PGR (0.67) PGRKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7567283 0.78 PLAU (0.62) PGRNR3C1ARESR2PLAU
SCHEMBL13852803 0.78 HSD17B2 (0.58) PGRNR3C1ARESR2PLAU
SCHEMBL19065100 0.77 GAA (0.64) PGRNR3C1ARESR2HSD17B2
SCHEMBL5189385 0.77 CA1 (0.64) PGRNR3C1ARESR2HSD17B2
SCHEMBL7573925 0.77 HSD17B2 (0.79) PGRNR3C1ARESR2HSD17B2

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
CN-1086578-C Sulfonamides and their use HOFFMANN LA ROCHE (CH) 2002-06-26 CN disclosed
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
CN-1170574-A Sulfonamides and their use HOFFMANN LA ROCHE (CH) 1998-01-21 CN disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed