SCHEMBL688329

SCHEMBL688329

CC(C)Cc1ccc(C=CS(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL688328 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL687786 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL687788 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688973 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688975 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688974 0.81 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11541479 0.80 PTGS2 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11541477 0.80 PTGS2 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL10072754 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688894 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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 12 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-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP claimed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO claimed
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 NPC1 2607/4885RAB9A 2655/4885SMN1; SMN2 1527/4885

“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.