SCHEMBL1665951

SCHEMBL1665951

O=C(O)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
USP2 O75604 1/20 0.49
PDE3A Q14432 1/20 0.49
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47

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
SCHEMBL16182668 0.90 MAPT (0.57) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3976179 0.89 MAPT (0.56) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL11775317 0.86 MAPT (0.57) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8769958 0.83 KDM4E (0.52) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL6567089 0.83 KDM4E (0.52) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1665977 0.83 MAPT (0.70) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL28482368 0.82 MAPT (0.54) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31272384 0.82 ALDH1A1 (0.68) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL2291597 0.82 MAPT (0.60) MAPTALDH1A1KDM4ETDP1METAP2
SCHEMBL20484459 0.82 MAPT (0.60) MAPTALDH1A1KDM4EMETAP2METAP1

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 4 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
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
EP-0311735-A2 Heterocycle sulfone oligomers and blends The Boeing Company (US) 1989-04-19 EP disclosed