SCHEMBL687741

SCHEMBL687741

CC(C)Cc1ccc(C(C)S(=O)(=O)NCCCN(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CXCR1 P25024 3/20 0.41
CXCR2 P25025 3/20 0.41
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
FAAH O00519 2/20 0.38
CHRM1 P11229 1/20 0.38
PDE4A P27815 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL688728 0.80 LMNA (0.43) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL10072970 0.80 LMNA (0.43) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL688365 0.78 PTGS2 (0.44) CA12CA2CA9ALDH1A1CXCR1
SCHEMBL687288 0.76 CXCR2 (0.44) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL10072969 0.75 GAA (0.43) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL687386 0.75 GAA (0.43) CA12CA2CA9ALOX15ALDH1A1
SCHEMBL688565 0.75 CXCR1 (0.50) CA12CA2CA9ALDH1A1CXCR1
SCHEMBL3817985 0.73 APP (0.63) CA12CA2CA9CXCR1CXCR2
SCHEMBL4431747 0.73 APP (0.63) CA12CA2CA9CXCR1CXCR2
Hydrochloric Acid SCHEMBL4743230 0.72 APP (0.62) CA12CA2CA9CXCR1CXCR2

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 10 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-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-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-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-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 CA12 335/4885CA2 565/4885CA9 587/4885

“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.