SCHEMBL688439

SCHEMBL688439

COCCNS(=O)(=O)C=Cc1ccc(CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGS2 P35354 2/20 0.38
SLC6A4 P31645 1/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL10072758 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL10072969 0.80 GAA (0.43) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL687386 0.80 GAA (0.43) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL10072754 0.79 NPC1 (0.46) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL688894 0.79 NPC1 (0.46) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL688948 0.77 LMNA (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL13310039 0.77 LMNA (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL12459533 0.76 ALDH1A1 (0.67) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL13343069 0.74 LMNA (0.41) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL688622 0.74 LMNA (0.41) MEN1KMT2AALDH1A1LMNAKDM4E

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 4846/4885ALDH1A1 2078/4885

“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.