SCHEMBL688975

SCHEMBL688975

CC(C)Cc1ccc(C=CS(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM1 P11229 1/20 0.41
PDE4A P27815 1/20 0.41
CXCR1 P25024 4/20 0.41
CXCR2 P25025 4/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
ALOX5 P09917 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 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
SCHEMBL688973 1.00 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL687788 0.98 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL687786 0.98 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688974 0.83 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL314318 0.82 CYP24A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688329 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688328 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL10072754 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL688894 0.79 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6453959 0.78 CXCR2 (0.37) 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 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 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.