SCHEMBL689133

SCHEMBL689133

O=C(c1ccccc1)c1cccc(C=CS(=O)(=O)O)c1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 7/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PPARG P37231 1/20 0.46
PBRM1 Q86U86 1/20 0.45
STS P08842 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TTR P02766 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
SCHEMBL689131 1.00 PTGS2 (0.52) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687927 0.98 PTGS2 (0.54) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687929 0.98 PTGS2 (0.54) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL689132 0.86 PTGS2 (0.51) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687733 0.84 PTGS2 (0.72) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL687734 0.84 PTGS2 (0.72) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL29108710 0.84 TTR (0.57) PTGS2PPARGCA1CA2MAOB
SCHEMBL28850037 0.83 PTGS2 (0.51) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL28850050 0.83 PTGS2 (0.51) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL688340 0.81 PTGS2 (0.52) PTGS2PTGS1ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP claimed
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 PTGS2 873/4885PTGS1 148/4885ATM 3607/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.