SCHEMBL687746

SCHEMBL687746

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 2/20 0.45
PBRM1 Q86U86 1/20 0.45
STS P08842 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SRD5A2 P31213 1/20 0.43
KAT6A Q92794 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
CNR2 P34972 1/20 0.40
FOLH1 Q04609 1/20 0.40
GRM2 Q14416 1/20 0.40

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
SCHEMBL688533 0.98 L3MBTL1 (0.53) L3MBTL1ATMTDP1CYP19A1PBRM1
SCHEMBL29108703 0.87 FOLH1 (0.54) CA1CA2FOLH1
SCHEMBL6471185 0.87 PTGS1 (0.48) L3MBTL1ATMTDP1CA1CA2
SCHEMBL29001417 0.83 MEN1 (0.50) L3MBTL1ATMTDP1STSCA1
SCHEMBL687745 0.83 ATM (0.50) L3MBTL1ATMTDP1CYP19A1PBRM1
SCHEMBL6454767 0.81 L3MBTL1 (0.47) L3MBTL1ATMTDP1CYP19A1PBRM1
SCHEMBL6454517 0.80 CYP19A1 (0.36) L3MBTL1ATMTDP1CYP19A1ALDH1A1
SCHEMBL28822705 0.79 CA2 (0.52) TDP1CA1CA2ALDH1A1
SCHEMBL27711383 0.79 CA2 (0.52) TDP1CA1CA2ALDH1A1
SCHEMBL4669025 0.78 TDP1 (0.61) L3MBTL1ATMTDP1CYP19A1PBRM1

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 L3MBTL1 4272/4885ATM 3607/4885TDP1 3061/4885

“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.