SCHEMBL12733334

SCHEMBL12733334

Cc1cc2nc[nH]c2c(C)c1S(=O)(=O)Nc1nccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
CYP2A6 P11509 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC40A1 Q9NP59 2/20 0.34
NMT1 P30419 1/20 0.34
EGFR P00533 1/20 0.34
FDPS P14324 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL12733324 0.82 CYP2A6 (0.43) PKMCYP2A6CNR2MEN1KMT2A
SCHEMBL12733333 0.80 CNR2 (0.40) PKMCYP2A6CNR2MEN1KMT2A
SCHEMBL12733337 0.77 CYP2A6 (0.39) PKMCYP2A6CNR2MEN1KMT2A
SCHEMBL12733336 0.75 TRPM8 (0.41) CYP2A6CNR2MEN1KMT2ATDP1
SCHEMBL4547697 0.69 ALDH1A1 (0.35) PKMMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL11860620 0.67 LMNA (0.55) MEN1KMT2ATDP1EGFRSMN1; SMN2
SCHEMBL31098965 0.61 EGFR (0.50) CYP2A6MEN1KMT2AEGFRFDPS
SCHEMBL11097776 0.61 PARP1 (0.35) MEN1KMT2ATDP1SMN1; SMN2ALDH1A1
SCHEMBL12477948 0.60 CYP1A2 (0.41) PKMCYP2A6MEN1KMT2ATDP1
SCHEMBL4479184 0.59 CYP2A6 (0.55) CYP2A6MEN1KMT2AEGFRFDPS

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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 PKM 3784/4885CYP2A6 2661/4885CNR2 3200/4885

“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.