SCHEMBL7689832

SCHEMBL7689832

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
TAAR1 Q96RJ0 1/20 0.35
HTR2A P28223 1/20 0.34
HTR1A P08908 7/20 0.33
HTR7 P34969 7/20 0.33
F2 P00734 2/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
HTR6 P50406 1/20 0.32
PPARD Q03181 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 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 SCHEMBL7160422 0.99 ITGB3 (0.39) ITGB3ITGA2BTAAR1HTR2AHTR1A
SCHEMBL7157334 0.89 PPARD (0.34) HTR1AHTR7F2PPARDPKM
SCHEMBL7689834 0.88 ITGB3 (0.38) ITGB3ITGA2BTAAR1HTR2AHTR1A
SCHEMBL7135473 0.88 ITGB3 (0.42) ITGB3ITGA2BTAAR1HTR2AHTR1A
SCHEMBL7132185 0.88 TAAR1 (0.38) ITGB3ITGA2BTAAR1LTA4HPLA2G2A
Hydrochloric Acid SCHEMBL7160397 0.87 ITGB3 (0.38) ITGB3ITGA2BTAAR1HTR2AHTR1A
Hydrochloric Acid SCHEMBL7160727 0.87 ITGB3 (0.42) ITGB3ITGA2BTAAR1HTR2AHTR1A
Hydrochloric Acid SCHEMBL7163840 0.87 CYP19A1 (0.37) ITGB3ITGA2BTAAR1LTA4HPLA2G2A
SCHEMBL7132896 0.86 CHRNB2 (0.43) F2LTA4HKMT2A
SCHEMBL7130918 0.86 ITGB3 (0.40) ITGB3ITGA2BTAAR1HTR2AHTR1A

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