SCHEMBL7423959

SCHEMBL7423959

COc1ccc(C(=O)O)c2cc(S(=O)(=O)N(C)C)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.41
PDE4B Q07343 8/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7423556 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL7425906 0.80 MAPT (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL8005492 0.78 KMT2A (0.43) ALDH1A1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL73952 0.76 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL7056726 0.75 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL6954572 0.74 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL7051399 0.73 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL7053201 0.73 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL6605574 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL5722936 0.72 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCA12

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-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP claimed
US-6066657-A Benzofuran-4-carboxamides and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-23 US claimed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 WO claimed
EP-1216230-A2 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS Amgen Inc. (US) 2002-06-26 EP disclosed
WO-2001023357-A2 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC. (US) 2001-04-05 WO disclosed
EP-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP disclosed
US-6066657-A Benzofuran-4-carboxamides and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-23 US disclosed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 WO disclosed