SCHEMBL5046382

SCHEMBL5046382

O=C(O)CCCCCCN(Cc1ccc(-n2cccn2)cc1)S(=O)(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 12/20 0.65
PTGER4 P35408 1/20 0.65
TAS2R14 Q9NYV8 1/20 0.45
TBXA2R P21731 2/20 0.44
TBXAS1 P24557 2/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA9 Q16790 3/20 0.43
NAMPT P43490 1/20 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
SCHEMBL5046373 0.89 PTGER2 (0.61) PTGER2PTGER4TAS2R14CA12CA1
SCHEMBL5043097 0.84 PTGER2 (0.74) PTGER2PTGER4CA12CA1CA2
SCHEMBL5046626 0.82 PTGER2 (0.46) PTGER2PTGER4
SCHEMBL27510095 0.81 PTGER2 (0.46) PTGER2PTGER4TBXA2RTBXAS1NAMPT
SCHEMBL5043170 0.81 PTGER2 (0.56) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL27643278 0.81 PTGER2 (0.56) PTGER2TBXA2RTBXAS1CA12CA1
SCHEMBL12749299 0.81 PTGER2 (0.65) PTGER2
SCHEMBL5049401 0.81 PTGER2 (0.51) PTGER2TAS2R14TBXA2RTBXAS1CA12
SCHEMBL27771930 0.79 PTGER2 (0.72) PTGER2PTGER4TAS2R14CA12CA1
SCHEMBL5046420 0.79 PTGER2 (0.54) PTGER2TAS2R14TBXA2RTBXAS1CA12

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