SCHEMBL688319

SCHEMBL688319

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.42
▸ CA2 P00918 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL688510 0.98 BCHE (0.43) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL6471185 0.85 PTGS1 (0.48) BCHECA2KDM4EALDH1A1SMN1; SMN2
SCHEMBL13181396 0.83 PTGS2 (0.44) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL6453428 0.82 RECQL (0.47) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL688318 0.81 CA2 (0.38) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL24035002 0.77 SMN1; SMN2 (0.38) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL3891030 0.76 TAAR1 (0.53) ALDH1A1
SCHEMBL1241139 0.75 TDP1 (0.46) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL11618279 0.75 RAB9A (0.45) BCHECA2HDAC4HDAC8KDM4E
SCHEMBL3255075 0.74 TAAR1 (0.55) ALDH1A1SMN1; SMN2HPGD

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 BCHE 2329/4885CA2 565/4885HDAC4 3603/4885

“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.

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