SCHEMBL7256735

SCHEMBL7256735

COc1ccc(S(=O)(=O)c2c(Br)cc(CC(=O)O)cc2Br)cc1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.47
PTGDR Q13258 6/20 0.47
THRB P10828 3/20 0.44
THRA P10827 2/20 0.44
PTGER2 P43116 1/20 0.42
CA5A P35218 1/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7346441 0.91 PTGDR2 (0.43) PTGDR2PTGDRPTGER2POLBL3MBTL1
SCHEMBL7256754 0.85 THRB (0.51) PTGDR2PTGDRTHRBTHRAPTGER2
SCHEMBL7260747 0.84 THRB (0.49) PTGDR2PTGDRTHRBTHRAPOLB
SCHEMBL7256723 0.79 CA5A (0.44) PTGDR2THRBTHRACA5APOLB
SCHEMBL7792682 0.79 PTGDR2 (0.57) PTGDR2PTGDRPTGER2CA5AALDH1A1
SCHEMBL7347408 0.78 THRB (0.39) PTGDR2PTGDRTHRBTHRAPOLB
SCHEMBL7350727 0.78 NR3C1 (0.46) THRBTHRACA5APOLBL3MBTL1
SCHEMBL8574560 0.77 GAA (0.57) PTGDR2PTGDRPTGER2CA5AALDH1A1
SCHEMBL7256740 0.75 MMP2 (0.44) THRBTHRAALDH1A1TSHR
SCHEMBL23691560 0.73 POLB (0.39) POLBALDH1A1GAATSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646005-B1 Administering nontoxic sulfur compounds such as 3,5-dibromo-4-(4-hydroxy-3-iodophenylsulfonyl)phenylacetic acid, having side effect reduction; alopecia THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2003-11-11 US claimed
EP-1185232-A1 METHOD OF TREATING HAIR LOSS USING SULFONYL THYROMIMETIC COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-03-13 EP claimed
WO-2000072810-A1 METHOD OF TREATING HAIR LOSS USING SULFONYL THYROMIMETIC COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO claimed
US-5284971-A No cardiac side effects SYNTEX (U.S.A.) INC. (US) 1994-02-08 US claimed
US-6646005-B1 Administering nontoxic sulfur compounds such as 3,5-dibromo-4-(4-hydroxy-3-iodophenylsulfonyl)phenylacetic acid, having side effect reduction; alopecia THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2003-11-11 US disclosed
EP-1185232-A1 METHOD OF TREATING HAIR LOSS USING SULFONYL THYROMIMETIC COMPOUNDS UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2002-03-13 EP disclosed
WO-2000072810-A1 METHOD OF TREATING HAIR LOSS USING SULFONYL THYROMIMETIC COMPOUNDS THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER (US) 2000-12-07 WO disclosed
US-5284971-A No cardiac side effects SYNTEX (U.S.A.) INC. (US) 1994-02-08 US disclosed