SCHEMBL699369

SCHEMBL699369

CN(C)CCCS(=O)(=O)NC=Cc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTGS2 P35354 6/20 0.39
PTGS1 P23219 4/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GP6 Q9HCN6 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL688497 0.78 GAA (0.53) MEN1KMT2APTGS2PTGS1L3MBTL1
SCHEMBL10072753 0.78 GAA (0.53) MEN1KMT2APTGS2PTGS1L3MBTL1
SCHEMBL699368 0.76 PTGS2 (0.41) MEN1KMT2APTGS2PTGS1SIGMAR1
SCHEMBL28473896 0.70 PTPN1 (0.48) MEN1KMT2ALMNAL3MBTL1HDAC6
SCHEMBL6461535 0.70 MEN1 (0.47) MEN1KMT2AACHEL3MBTL1
SCHEMBL687194 0.69 THRA (0.39) ACHEHTR2AHTTLMNAHPGD
SCHEMBL13472218 0.69 BCHE (0.48) KMT2ABCHEACHELMNATDP1
SCHEMBL688293 0.68 NPC1 (0.38) MEN1KMT2APTGS2BCHEACHE
SCHEMBL687300 0.68 HTR1A (0.39) BCHEACHELMNA
SCHEMBL10073338 0.68 PTGS2 (0.52) KMT2APTGS2PTGS1HTTATM

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 MEN1 4816/4885KMT2A 4846/4885PTGS2 873/4885

“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.