SCHEMBL5043619

SCHEMBL5043619

COC(=O)CCc1cccc(CNS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.58
KEAP1 Q14145 1/20 0.55
PRMT1 Q99873 1/20 0.54
ALDH1A1 P00352 2/20 0.52
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
MAPT P10636 2/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TBXAS1 P24557 1/20 0.50
HTT P42858 1/20 0.50
TBXA2R P21731 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL21048461 0.82 KEAP1 (0.81) CYP19A1KEAP1CA12CA9HDAC2
SCHEMBL4873552 0.78 SIRT2 (0.48) ALDH1A1CA12CA9CA7CA14
SCHEMBL4662858 0.77 CYP19A1 (0.74) CYP19A1KEAP1ALDH1A1MAPTL3MBTL1
SCHEMBL5746476 0.77 SIRT2 (0.47) ALDH1A1CA12CA9CA7CA14
SCHEMBL20981392 0.77 KEAP1 (0.63) KEAP1PRMT1ALDH1A1CA12CA9
SCHEMBL9464524 0.76 CA12 (0.61) ALDH1A1CA12CA9MAPTCA7
SCHEMBL10205766 0.76 CYP19A1 (0.72) CYP19A1ALDH1A1MAPTTBXAS1TBXA2R
SCHEMBL5043542 0.76 PTPN1 (0.47) ALDH1A1CA12CA9CA7CA14
SCHEMBL5046394 0.75 FFAR1 (0.54) ALDH1A1HTTATMLMNA
SCHEMBL1048486 0.75 AKR1C3 (0.66) CYP19A1KEAP1ALDH1A1MAPTHDAC2

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