SCHEMBL30225533

SCHEMBL30225533

CN(C)C(=O)C1CN1S(=O)(=O)c1ccc(N(C)C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CA2 P00918 1/20 0.40
TGM2 P21980 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FKBP4 Q02790 2/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29948271 0.93 KMT2A (0.55) KMT2AATMCA2TGM2F2
SCHEMBL23630459 0.93 KMT2A (0.55) KMT2AATMCA2TGM2F2
SCHEMBL30225379 0.85 KMT2A (0.44) KMT2AATMTGM2F2PRSS1
SCHEMBL8366178 0.80 KMT2A (0.55) KMT2AATMCA2TGM2F2
SCHEMBL23630601 0.74 CCR4 (0.40)
SCHEMBL4126919 0.74 KMT2A (0.51) KMT2AATMCA2TGM2F2
SCHEMBL29948257 0.74 CCR4 (0.40)
SCHEMBL23630364 0.74 CASP3 (0.43)
SCHEMBL29948321 0.74 CASP3 (0.43)
SCHEMBL16669181 0.73 KMT2A (0.50) KMT2AATMCA2TGM2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039836-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE UNIWERSYTET JAGIELLONSKI (PL) 2023-02-09 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 (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-20230039836-A1 AROMATIC SULPHONAMIDES DERIVATIVES THAT INHIBITS PDI A3, THEIR SYNTHESIS AND USE PDIA3, PDIA5, PDIA6 KMT2A 4490/4885ATM 3114/4885CA2 3042/4885

“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.