SCHEMBL1665319

SCHEMBL1665319

Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.61
ENPP2 Q13822 4/20 0.61
ENPP3 O14638 4/20 0.61
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PPARG P37231 1/20 0.52
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PTPN1 P18031 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11413479 0.92 MEN1 (0.55) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL4325565 0.85 KMT2A (0.70) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL1665713 0.85 MEN1 (0.70) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL18179825 0.84 MEN1 (0.60) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL4126086 0.84 MEN1 (0.60) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL9852204 0.84 MEN1 (0.60) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL1665211 0.83 TDP1 (0.64) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL6069317 0.83 ALDH1A1 (0.70) ENPP1ENPP2ENPP3KMT2AMEN1
Iodide SCHEMBL22068772 0.82 CA2 (0.59) ENPP1ENPP2ENPP3KMT2AMEN1
SCHEMBL27472523 0.81 ALDH1A1 (0.59) ENPP1ENPP2ENPP3KMT2AMEN1

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
EP-2314581-B1 A process for preparing benzo[b]thiophene derivatives HEXAL AG (DE) 2012-07-25 EP disclosed
EP-2322519-A1 A process for preparing benzo[b]thiophene derivatives Hexal AG (DE) 2011-05-18 EP disclosed
WO-2011047878-A2 A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES HEXAL AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
WO-2011047877-A1 A PROCESS FOR PREPARING BENZO[B]THIOPHENE DERIVATIVES HEXAL AKTIENGESELLSCHAFT (DE) 2011-04-28 WO disclosed
EP-2314581-A1 A process for preparing benzo[b]thiophene derivatives Hexal AG (DE) 2011-04-27 EP disclosed
US-4520026-A ANTIARRHYTHMIA AGENTS S. A. LABAZ N.V. (BE) 1985-05-28 US disclosed
US-4378362-A CARDIOVASCULAR DISORDERS S.A. LABAZ N.V. (BE) 1983-03-29 US disclosed
US-4103012-A CARDIOVASCULAR DISORDERS LABAZ (FR) 1978-07-25 US disclosed