P-Toluenesulfonamide

P-Toluenesulfonamide

SCHEMBL5523959

Cc1ccc(S(N)(=O)=O)cc1.NC1(O)CCc2ccccc21

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA7 P43166 3/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA3 P07451 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
AKR1B1 P15121 2/20 0.44
PTPN7 P35236 1/20 0.41
PTGS2 P35354 8/20 0.40
PTGS1 P23219 3/20 0.40
KIF11 P52732 1/20 0.39
CA14 Q9ULX7 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
CA4 P22748 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
GAA P10253 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
P-Toluenesulfonamide SCHEMBL5528880 1.00 CA2 (0.49) CA2CA9CA12CA1CA7
P-Toluenesulfonamide SCHEMBL5525016 1.00 CA2 (0.49) CA2CA9CA12CA1CA7
SCHEMBL5528701 0.82 MEN1 (0.40) AKR1B1KIF11
SCHEMBL5622851 0.82 MEN1 (0.40) AKR1B1KIF11
SCHEMBL5526501 0.82 MEN1 (0.40) AKR1B1KIF11
SCHEMBL788818 0.79 KDM1A (0.50)
SCHEMBL30664080 0.79 KDM1A (0.50)
SCHEMBL2147836 0.79 KDM1A (0.50)
SCHEMBL30316454 0.79 KDM1A (0.50)
SCHEMBL29529186 0.79 KDM1A (0.50)

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-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
EP-1389184-A2 METHODS OF PREPARING SULFINAMIDE AND SULFOXIDES Apsinterm, LLC. (US) 2004-02-18 EP disclosed
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides APSINTERM LLC 2003-05-01 US disclosed
WO-2002083608-A2 METHODS OF PREPARING SULFINAMIDE AND SULFOXIDES APSINTERM LLC (US) 2002-10-24 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 (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 CA2 3428/4885CA9 2159/4885CA12 1775/4885
US-20070293682-A1 Methods of Preparing Sulfinamides and Sulfoxides STS, TST, CBS CA2 3428/4885CA9 2159/4885CA12 1775/4885
US-20030083517-A1 Methods of preparing sulfinamides and sulfoxides STS, TST, CBS CA2 3428/4885CA9 2159/4885CA12 1775/4885

“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.