SCHEMBL5046520

SCHEMBL5046520

COC(=O)CCc1cccc(C(N)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC7A5 Q01650 1/20 0.41
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRSS1 P07477 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL27556623 0.81 HDAC3 (0.50) MAPTSMN1; SMN2
SCHEMBL18025550 0.76 SIRT2 (0.49) PTPN1SIRT2CA12CA7CA9
SCHEMBL20981391 0.76 SLC7A5 (0.45) KMT2AGAASMN1; SMN2SLC7A5TDP1
SCHEMBL4873552 0.75 SIRT2 (0.48) PTPN1SIRT2CA12CA7CA9
Phenyl Propionic Acid SCHEMBL28543455 0.75 FFAR1 (0.51) PTPN1SIRT2CA12CA7CA9
SCHEMBL5043542 0.75 PTPN1 (0.47) PTPN1SIRT2CA12CA7CA9
SCHEMBL5043619 0.74 CYP19A1 (0.58) CA12CA7CA9CA14MAPT
SCHEMBL5746476 0.74 SIRT2 (0.47) PTPN1SIRT2CA12CA7CA9
SCHEMBL13840665 0.72 SLC7A5 (0.56) PTPN1SIRT2SLC7A5
Methyl 3-Phenylpropanoate SCHEMBL168711 0.72 TDP1 (0.68) CA12CA7CA9CA14KMT2A

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