SCHEMBL688163

SCHEMBL688163

COCCNS(=O)(=O)C(C)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.54
PTGS2 P35354 4/20 0.54
MAPT P10636 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 2/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCL8 P10145 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
CA12 O43570 5/20 0.48

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
SCHEMBL687767 0.81 PTGS1 (0.47) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL688348 0.79 MAPT (0.59) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL13310029 0.75 PTGS1 (0.64) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL6458447 0.74 NPC1 (0.53) MAPTHPGD
SCHEMBL688859 0.73 GAA (0.49) PTGS1PTGS2MAPTHPGDKDM4E
SCHEMBL13310038 0.73 GAA (0.49) PTGS1PTGS2MAPTHPGDKDM4E
SCHEMBL13777336 0.72 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL13777333 0.72 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL24017901 0.71 PTGS1 (0.74) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL16091076 0.71 PTGS1 (0.68) PTGS1PTGS2MAPTCXCR1CXCR2

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 12 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
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-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 PTGS1 148/4885PTGS2 873/4885MAPT 4777/4885

“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.