SCHEMBL7689834

SCHEMBL7689834

NCCOc1cccc(S(=O)(=O)C2CS(=O)(=O)c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
F2 P00734 3/20 0.35
HTR6 P50406 3/20 0.35
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
HTR2A P28223 2/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
NFE2L2 Q16236 1/20 0.32

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
Hydrochloric Acid SCHEMBL7160397 0.99 ITGB3 (0.38) ITGB3ITGA2BTAAR1CA1CA2
SCHEMBL7689832 0.88 ITGB3 (0.40) ITGB3ITGA2BTAAR1F2HTR6
SCHEMBL7157336 0.88 PPARD (0.34) CA1CA2CA9F2HTR6
SCHEMBL7135475 0.88 CA1 (0.41) ITGB3ITGA2BTAAR1CA1CA2
SCHEMBL7132188 0.87 TAAR1 (0.39) ITGB3ITGA2BTAAR1CA1CA2
Hydrochloric Acid SCHEMBL7160422 0.87 ITGB3 (0.39) ITGB3ITGA2BTAAR1F2HTR6
Hydrochloric Acid SCHEMBL7160723 0.87 CA1 (0.40) ITGB3ITGA2BTAAR1CA1CA2
Hydrochloric Acid SCHEMBL7163833 0.86 TAAR1 (0.38) ITGB3ITGA2BTAAR1CA1CA2
SCHEMBL7132898 0.86 CHRNB2 (0.41) F2LTA4H
SCHEMBL7130925 0.85 ITGB3 (0.39) ITGB3ITGA2BTAAR1CA1CA2

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 3 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-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