SCHEMBL5046527

SCHEMBL5046527

COC(=O)CCc1cccc(CN(CCCc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
TAS2R14 Q9NYV8 4/20 0.48
BMP1 P13497 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 1/20 0.47
DAGLA Q9Y4D2 1/20 0.45
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA9 Q16790 4/20 0.43

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
SCHEMBL5048225 0.90 KMT2A (0.55) TAS2R14KMT2AMEN1HTTDAGLA
SCHEMBL5049430 0.83 TDP1 (0.44) TDP1TAS2R14KMT2AMEN1DAGLA
SCHEMBL5049428 0.83 TDP1 (0.44) TDP1TAS2R14KMT2AMEN1DAGLA
SCHEMBL5043177 0.83 CA12 (0.49) TDP1TAS2R14BMP1DAGLACA12
SCHEMBL5043544 0.80 TAS2R14 (0.57) TDP1TAS2R14PTPN1CA12CA1
SCHEMBL5046594 0.78 TAS2R14 (0.54) TDP1TAS2R14PTPN1CA12CA1
SCHEMBL5043402 0.78 PTGER2 (0.56) TDP1TAS2R14BMP1CA12CA1
SCHEMBL5046372 0.75 TAS2R14 (0.54) TDP1TAS2R14CA12CA1CA2
SCHEMBL5043600 0.75 PTGER2 (0.49) TDP1TAS2R14KMT2AMEN1
SCHEMBL5042984 0.75 TAS2R14 (0.56) TDP1TAS2R14HTT

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 5 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
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed