SCHEMBL688538

SCHEMBL688538

O=S(=O)(O)CCOS(=O)(=O)c1ccccc1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PARL Q9H300 1/20 0.42
▸ HTR6 P50406 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ PSIP1 O75475 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL687705 0.98 SMN1; SMN2 (0.46) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL3449015 0.83 PARL (0.50) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL10866994 0.82 PARL (0.43) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL31465101 0.81 PSIP1 (0.42) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL3447513 0.80 PARL (0.44) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL30555660 0.80 PARL (0.44) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL5945104 0.79 PARL (0.47) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL14778910 0.79 PARL (0.47) SMN1; SMN2TSHRPARLHTR6ALDH1A1
SCHEMBL18775985 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ACA1CA2MMP1
SCHEMBL28418229 0.78 PARL (0.43) SMN1; SMN2TSHRPARLHTR6ALDH1A1

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 SMN1; SMN2 1527/4885TSHR 2534/4885PARL 3574/4885

“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.

Send feedback