SCHEMBL688840

SCHEMBL688840

CS(=O)(=O)Nc1ccc(C=CS(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
KEAP1 Q14145 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KIF11 P52732 2/20 0.44
ESR1 P03372 1/20 0.44
KMT2A Q03164 2/20 0.43
PGR P06401 1/20 0.42
PTGS2 P35354 1/20 0.41
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.41
NR3C2 P08235 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL688839 1.00 ALDH1A1 (0.47) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL688504 0.98 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL688506 0.98 CA12 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL14358814 0.85 KEAP1 (0.58) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL14358816 0.85 KEAP1 (0.58) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL688505 0.84 CA12 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL6457049 0.84 KIF11 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2KIF11
SCHEMBL6457046 0.84 KIF11 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2KIF11
SCHEMBL687551 0.82 CA1 (0.55) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL687552 0.82 CA1 (0.55) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E

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
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP claimed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US claimed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US 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

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 ALDH1A1 2078/4885LMNA 4081/4885HPGD 730/4885

“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.