SCHEMBL686723

SCHEMBL686723

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CXCR1 P25024 5/20 0.50
CXCR2 P25025 5/20 0.50
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
ALOX5 P09917 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C2 P52895 1/20 0.50

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
SCHEMBL13310042 1.00 EPHX1 (0.53) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL13310041 1.00 EPHX1 (0.53) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL13310025 0.81 CXCR1 (0.55) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL28649959 0.81 PTGS1 (0.50) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL687943 0.81 CXCR1 (0.55) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL13310026 0.81 CXCR1 (0.55) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL687492 0.79 CXCR1 (0.53) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL687491 0.79 CXCR1 (0.49) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL3428973 0.79 EPHX1 (0.51) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL688565 0.78 CXCR1 (0.50) EPHX1CXCR1CXCR2PTGS1PTGS2

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 14 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
CN-100372831-C Sulfonic acids, derivatives thereof and pharmaceutical compositions containing them DOMPE SPA (IT) 2008-03-05 CN claimed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US claimed
CN-1761645-A Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE SPA (IT) 2006-04-19 CN 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
CN-100372831-C Sulfonic acids, derivatives thereof and pharmaceutical compositions containing them DOMPE SPA (IT) 2008-03-05 CN disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
CN-1761645-A Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE SPA (IT) 2006-04-19 CN 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 EPHX1 1244/4885CXCR1 3/4885CXCR2 4/4885

“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.