SCHEMBL3073235

SCHEMBL3073235

Cc1ccc(S(=O)(=O)OCCCOCc2ccccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP24A1 Q07973 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
ADAM17 P78536 1/20 0.38
VDR P11473 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
HTT P42858 2/20 0.36
PSMD10 O75832 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL2340055 0.92 MEN1 (0.48) MEN1KMT2ACYP24A1CA12CA1
SCHEMBL8339482 0.89 CYP24A1 (0.40) MEN1KMT2ACYP24A1CA12CA1
SCHEMBL6098372 0.87 ALDH1A1 (0.48) MEN1KMT2ACYP24A1CA12CA1
SCHEMBL2340512 0.87 ALDH1A1 (0.49) MEN1KMT2ACYP24A1VDRALDH1A1
SCHEMBL2337256 0.86 REN (0.44) MEN1KMT2APKM
SCHEMBL5870619 0.84 MEN1 (0.54) MEN1KMT2AADAM17VDRALDH1A1
SCHEMBL2246161 0.83 ALDH1A1 (0.49) CYP24A1CA12CA1CA9ALDH1A1
SCHEMBL12737574 0.82 ALDH1A1 (0.50) CYP24A1CA12CA1CA9VDR
SCHEMBL21618180 0.82 ALDH1A1 (0.50) CYP24A1CA12CA1CA9VDR
SCHEMBL25311278 0.82 ALDH1A1 (0.48) CYP24A1CA12CA1CA9ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885CYP24A1 831/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MEN1 2817/4885KMT2A 3839/4885CYP24A1 831/4885

“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.