SCHEMBL5046397

SCHEMBL5046397

O=C(O)CCc1cccc(CN(CCOc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.53
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA4 P22748 9/20 0.53
CA9 Q16790 9/20 0.53
DAGLA Q9Y4D2 1/20 0.51
TAS2R14 Q9NYV8 3/20 0.50
BDKRB1 P46663 2/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL5043177 0.92 CA12 (0.49) CA12CA1CA2CA4CA9
SCHEMBL5048225 0.81 KMT2A (0.55) CA12CA1CA2CA4CA9
SCHEMBL5043393 0.81 CA12 (0.57) CA12CA1CA2CA4CA9
SCHEMBL9836410 0.78 CA12 (0.68) CA12CA1CA2CA4CA9
SCHEMBL5726322 0.78 KDM4E (0.53) CA12CA1CA2CA4CA9
SCHEMBL5050303 0.75 CA12 (0.51) CA12CA1CA2CA4CA9
SCHEMBL5043193 0.74 TAS2R14 (0.56) CA12CA1CA2CA4CA9
SCHEMBL4944598 0.74 CA12 (0.68) CA12CA1CA2CA4CA9
SCHEMBL5046579 0.74 CA12 (0.53) CA12CA1CA2CA4CA9
SCHEMBL5046527 0.73 TDP1 (0.51) CA12CA1CA2CA4CA9

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-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed