SCHEMBL5043434

SCHEMBL5043434

COC(=O)CCc1cccc(CN(Cc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.55
PTPN1 P18031 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGES O14684 1/20 0.48
APLNR P35414 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN6 P29350 1/20 0.48
TAS2R14 Q9NYV8 2/20 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
SCHEMBL5050268 0.91 NR3C1 (0.61) NR3C1CA12CA1CA2CA4
SCHEMBL5859866 0.90 PTPN1 (0.51) NR3C1PTPN1CA12CA1CA2
SCHEMBL5047963 0.89 TDP1 (0.52) PTPN1CA12CA1CA2CA4
SCHEMBL5726432 0.84 CA12 (0.56) NR3C1CA12CA1CA2CA4
SCHEMBL9804265 0.80 FFAR1 (0.60) TDP1PTGES
SCHEMBL5047991 0.80 KDM4E (0.62) TDP1
SCHEMBL5725453 0.79 PTPN1 (0.53) PTPN1CA12CA1CA2CA4
SCHEMBL4654749 0.79 FFAR1 (0.70) TDP1
SCHEMBL5046766 0.78 FFAR1 (0.54) CA12CA1CA2CA4CA9
SCHEMBL5043544 0.78 TAS2R14 (0.57) PTPN1CA12CA1CA2CA4

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