SCHEMBL687300

SCHEMBL687300

CN(C)CCCS(=O)(=O)NC=Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
CXCR2 P25025 1/20 0.34
TNF P01375 1/20 0.33
IL6 P05231 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
FLT3 P36888 2/20 0.32
APP P05067 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL688555 0.77 GAA (0.43) HTR1AHTR1DHTR1BMAOAMAOB
SCHEMBL10073334 0.77 GAA (0.43) HTR1AHTR1DHTR1BMAOAMAOB
SCHEMBL687194 0.76 THRA (0.39) DRD3LMNASMN1; SMN2ACHECACNA1B
SCHEMBL687299 0.75 HTR1A (0.40) HTR1AHTR1DHTR1BMAOAMAOB
SCHEMBL688293 0.75 NPC1 (0.38) SMN1; SMN2BCHEACHECXCR2
SCHEMBL6456001 0.71 HTR1A (0.42) HTR1AHTR1DHTR1BHRH3
SCHEMBL699369 0.68 MEN1 (0.41) LMNABCHEACHE
SCHEMBL10073567 0.66 LMNA (0.43) LMNACXCR2
SCHEMBL688256 0.66 LMNA (0.43) LMNACXCR2
SCHEMBL24080169 0.66 PTGS2 (0.47) LMNASMN1; SMN2

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 6 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 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 HTR1A 2604/4885HTR1D 1571/4885HTR1B 3446/4885

“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.