SCHEMBL12733337

SCHEMBL12733337

Cc1cc2[nH]nnc2c(C)c1S(=O)(=O)Nc1nccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC40A1 Q9NP59 4/20 0.36
NMT1 P30419 1/20 0.36
CNR2 P34972 1/20 0.36
PKM P14618 1/20 0.34
FDPS P14324 1/20 0.34
EGFR P00533 3/20 0.33
KDR P35968 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
DRD1 P21728 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP3K7 O43318 1/20 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) CYP2A6MEN1KMT2ATDP1SLC40A1
SCHEMBL12733333 0.78 CNR2 (0.40) CYP2A6MEN1KMT2ATDP1SLC40A1
SCHEMBL12733334 0.77 PKM (0.37) CYP2A6MEN1KMT2ATDP1SLC40A1
SCHEMBL12733336 0.73 TRPM8 (0.41) CYP2A6MEN1KMT2ATDP1CNR2
SCHEMBL4547695 0.68 ALDH1A1 (0.36) MEN1KMT2ATDP1PKMEDNRA
SCHEMBL11860620 0.67 LMNA (0.55) MEN1KMT2ATDP1EGFRKDR
SCHEMBL18122177 0.63 CYP1A2 (0.40) CYP2A6TDP1LMNAHPGDSMN1; SMN2
SCHEMBL10752610 0.62 POLB (0.47) MEN1KMT2APKMHPGDSMN1; SMN2
SCHEMBL31098965 0.61 EGFR (0.50) CYP2A6MEN1KMT2AFDPSEGFR
SCHEMBL70488 0.60 CYP2A6 (1.00) CYP2A6MEN1KMT2ATDP1LMNA

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 CYP2A6 2661/4885MEN1 4598/4885KMT2A 4447/4885

“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.