SCHEMBL7246746

SCHEMBL7246746

O=C(COc1cccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O)NCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
MAPK1 P28482 1/20 0.54
PKM P14618 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 2/20 0.45
NAMPT P43490 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7246751 0.92 NOTUM (0.55) NOTUMMAPK1PKMPOLBHPGD
SCHEMBL7132097 0.86 HTR1A (0.42) MAPK1POLBALDH1A1LMNAHTT
SCHEMBL7129965 0.84 CYP11B1 (0.42) NAMPT
SCHEMBL7164800 0.83 FKBP1A (0.42)
SCHEMBL7159223 0.83 NAMPT (0.53) HPGDALDH1A1LMNACYP2C9HTT
SCHEMBL7127101 0.81 ALDH1A1 (0.54) MAPK1POLBHSD17B10ALDH1A1LMNA
SCHEMBL7134614 0.81 NAMPT (0.48) ALDH1A1LMNACYP1A2CYP3A4HTT
SCHEMBL7131452 0.80 LMNA (0.47) MAPK1ALDH1A1LMNACYP2C9HTT
SCHEMBL7132430 0.80 LGALS1 (0.45) MAPK1PKMPOLBHSD17B10ALDH1A1
SCHEMBL7157791 0.79 HTT (0.43) PKMPOLBALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
US-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed