SCHEMBL5526501

SCHEMBL5526501

Cc1cc(C)c(S(N)(=O)=O)c(C)c1.N[C@@]1(O)CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 2/20 0.34
KIF11 P52732 2/20 0.34
MAOB P27338 1/20 0.33
EPHX2 P34913 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL5528701 1.00 MEN1 (0.40) MEN1KMT2AL3MBTL1LMNANPSR1
SCHEMBL5622851 1.00 MEN1 (0.40) MEN1KMT2AL3MBTL1LMNANPSR1
P-Toluenesulfonamide SCHEMBL5525016 0.82 CA2 (0.49) KIF11AKR1B1
P-Toluenesulfonamide SCHEMBL5523959 0.82 CA2 (0.49) KIF11AKR1B1
P-Toluenesulfonamide SCHEMBL5528880 0.82 CA2 (0.49) KIF11AKR1B1
SCHEMBL5523601 0.81 MEN1 (0.36) MEN1KMT2AL3MBTL1LMNANPSR1
SCHEMBL788818 0.77 KDM1A (0.50) LMNAKDM1AMAOB
SCHEMBL29529186 0.77 KDM1A (0.50) LMNAKDM1AMAOB
SCHEMBL2147836 0.77 KDM1A (0.50) LMNAKDM1AMAOB
SCHEMBL30664080 0.77 KDM1A (0.50) LMNAKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides APSINTERM, LLC 2007-12-20 US disclosed
US-7256297-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM, LLC. (US) 2007-08-14 US disclosed
US-7064214-B2 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC (US) 2006-06-20 US disclosed
US-20060128767-A1 Methods of preparing sulfinamides and sulfoxides SENANAYAKE CHRIS H 2006-06-15 US disclosed
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC 2003-05-01 US 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 (3 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-20060128767-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS MEN1 1917/4885KMT2A 1066/4885L3MBTL1 4783/4885
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS MEN1 1917/4885KMT2A 1066/4885L3MBTL1 4783/4885
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS MEN1 1917/4885KMT2A 1066/4885L3MBTL1 4783/4885

“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.