SCHEMBL5048048

SCHEMBL5048048

O=C(O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2nccs2)c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
PTGER2 P43116 3/20 0.40
PPARG P37231 1/20 0.39
TAS2R14 Q9NYV8 3/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
EP300 Q09472 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL13398725 0.91 EP300 (0.38) FFAR1PTGER2TAS2R14EP300
SCHEMBL5048140 0.90 TDP1 (0.41) PTGER2TAS2R14EP300
SCHEMBL13399131 0.86 PTGER2 (0.40) FFAR1PTGER2TAS2R14EP300
SCHEMBL5047934 0.86 PTGER2 (0.41) FFAR1PTGER2CA12CA1CA2
SCHEMBL5046836 0.86 TAS2R14 (0.53) TAS2R14MEN1KMT2ACA12CA1
SCHEMBL5043203 0.85 PTGER2 (0.51) PTGER2CA12CA1CA2CA4
SCHEMBL5049429 0.84 PTGER2 (0.55) PTGER2
SCHEMBL5046419 0.82 CXCR3 (0.56) TAS2R14MEN1KMT2ACA12CA1
SCHEMBL5049363 0.82 PTGER2 (0.53) FFAR1PTGER2MEN1HTTKMT2A
SCHEMBL5046357 0.82 CA12 (0.57) PTGER2CA12CA1CA2CA4

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