SCHEMBL688292

SCHEMBL688292

C=Cc1ccc(CC(C)C)cc1.CN(C)CCCS(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A4 P31645 1/20 0.33
EPHX1 P07099 1/20 0.33
LTA4H P09960 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CXCR1 P25024 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
SCHEMBL687193 0.77 CA1 (0.41) ALDH1A1ACHESLC6A4CA12CA1
SCHEMBL546949 0.75 ALDH1A1 (0.50) ALDH1A1BCHEACHEALOX5EPHX1
SCHEMBL687299 0.74 HTR1A (0.40) LTA4HCA1CA2CA9SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28640315 0.73 ALDH1A1 (0.48) ALDH1A1BCHEACHEALOX5EPHX1
SCHEMBL688293 0.73 NPC1 (0.38) ALDH1A1BCHEACHEALOX5NPC1
SCHEMBL3115464 0.70 ALDH1A1 (0.43) ALDH1A1LTA4HCA12CA1CA2
SCHEMBL6457789 0.69 RECQL (0.58) ALDH1A1ALOX5EPHX1CA12CA1
SCHEMBL6811099 0.69 KCNH2 (0.49) ALDH1A1
SCHEMBL10072969 0.68 GAA (0.43) ALDH1A1CA12CA2CA9NPC1
SCHEMBL687386 0.68 GAA (0.43) ALDH1A1CA12CA2CA9NPC1

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 ALDH1A1 2078/4885BCHE 2329/4885ACHE 2332/4885

“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.