SCHEMBL687288

SCHEMBL687288

CC(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)S(=O)(=O)NCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.44
CXCR1 P25024 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
SFRP1 Q8N474 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL688169 0.81 CXCR2 (0.47) CXCR2CXCR1HTR1DALDH1A1HTT
SCHEMBL687263 0.76 CXCR2 (0.55) CXCR2CXCR1HTR1AHTR1DHTR1B
SCHEMBL6456001 0.76 HTR1A (0.42) HTR1AHTR1DHTR1BCA12CA2
SCHEMBL687741 0.76 CA12 (0.43) CXCR2CXCR1CA12CA2CA9
SCHEMBL688555 0.75 GAA (0.43) HTR1AHTR1DHTR1BCA12CA2
SCHEMBL10073334 0.75 GAA (0.43) HTR1AHTR1DHTR1BCA12CA2
SCHEMBL10072970 0.75 LMNA (0.43) CA12CA2CA9ALDH1A1HTT
SCHEMBL688728 0.75 LMNA (0.43) CA12CA2CA9ALDH1A1HTT
SCHEMBL16172609 0.70 CXCR2 (0.59) CXCR2CXCR1CA12CA2CA9
SCHEMBL687767 0.68 PTGS1 (0.47) CXCR2CXCR1CA12CA2CA9

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 9 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-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 CXCR2 4/4885CXCR1 3/4885HTR1A 2604/4885

“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.