SCHEMBL699368

SCHEMBL699368

C=Cc1cccc(C(=O)c2ccccc2)c1.CN(C)CCCS(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.41
PTGS1 P23219 7/20 0.41
STS P08842 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LSS P48449 2/20 0.37
PBRM1 Q86U86 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL1941954 0.77 ATM (0.63) PTGS2PTGS1MEN1KMT2AATM
SCHEMBL30502883 0.77 ATM (0.63) PTGS2PTGS1MEN1KMT2AATM
SCHEMBL699369 0.76 MEN1 (0.41) PTGS2PTGS1MEN1KMT2AATM
SCHEMBL28242748 0.72 TDP1 (0.52) PTGS2ATMTDP1L3MBTL1PBRM1
SCHEMBL10072753 0.72 GAA (0.53) PTGS2PTGS1MEN1KMT2AL3MBTL1
SCHEMBL688497 0.72 GAA (0.53) PTGS2PTGS1MEN1KMT2AL3MBTL1
SCHEMBL14232252 0.69 ATM (0.55) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL9490588 0.68 L3MBTL1 (0.63) PTGS2PTGS1ATMTDP1L3MBTL1
SCHEMBL688292 0.68 ALDH1A1 (0.34) CA1CA2MEN1KMT2AL3MBTL1
SCHEMBL687193 0.68 CA1 (0.41) CA1CA2MEN1KMT2A

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 PTGS2 873/4885PTGS1 148/4885STS 681/4885

“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.