SCHEMBL5523601

SCHEMBL5523601

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
EPHX2 P34913 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL5526501 0.81 MEN1 (0.40) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL5528701 0.81 MEN1 (0.40) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL5622851 0.81 MEN1 (0.40) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL8065021 0.66 AKR1B1 (0.44) KMT2ALMNAALDH1A1HTTL3MBTL1
SCHEMBL8063973 0.66 AKR1B1 (0.44) KMT2ALMNAALDH1A1HTTL3MBTL1
SCHEMBL8063900 0.66 AKR1B1 (0.44) KMT2ALMNAALDH1A1HTTL3MBTL1
SCHEMBL113366 0.65 CA1 (0.52) LMNANPSR1ALDH1A1TSHRCA1
SCHEMBL6975129 0.64 KDM1A (0.42) MAPK1SMN1; SMN2SIGMAR1
SCHEMBL8054529 0.64 KDM1A (0.42) MAPK1SMN1; SMN2SIGMAR1
P-Toluenesulfonamide SCHEMBL5528880 0.64 CA2 (0.49) CA1CA12CA4CA6CA7

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 4 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-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 (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-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS MEN1 1917/4885KMT2A 1066/4885LMNA 4744/4885
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS MEN1 1917/4885KMT2A 1066/4885LMNA 4744/4885

“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.