SCHEMBL10167004

SCHEMBL10167004

CN(c1ccc(S(=O)(=O)c2ccccc2)cc1C(F)(F)F)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HSD11B1 P28845 2/20 0.41
PTK2 Q05397 3/20 0.41
SFRP1 Q8N474 4/20 0.41
WNT3 P56703 2/20 0.41
CYP19A1 P11511 2/20 0.39
HTR6 P50406 3/20 0.39
NR1H3 Q13133 1/20 0.38
PTK2B Q14289 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL10167002 0.83 ESR1 (0.42) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1
SCHEMBL16481025 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1POLBMAPTSFRP1
SCHEMBL20246832 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1PTK2PTK2B
SCHEMBL27841266 0.76 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1
SCHEMBL8016610 0.75 CYP19A1 (0.50) ALDH1A1POLBCYP19A1
SCHEMBL4201103 0.74 HTR6 (0.48) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1
SCHEMBL11226587 0.74 CHRM2 (0.40) SMN1; SMN2ALDH1A1POLBMAPTSFRP1
SCHEMBL10167001 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1
SCHEMBL10262196 0.71 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1
SCHEMBL4616057 0.70 SFRP1 (0.48) SMN1; SMN2ALDH1A1POLBMAPTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8692001-B2 Sulfonamides for the modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2014-04-08 US disclosed
US-8692001-B2 Sulfonamides for the modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2014-04-08 US disclosed
WO-2012056319-A1 SULFONAMIDES FOR THE MODULATION OF PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-05-03 WO disclosed
US-20120108631-A1 Sulfonamides for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-05-03 US disclosed
US-20120108631-A1 Sulfonamides for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-05-03 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-20120108631-A1 Sulfonamides for the Modulation of PKM2 PDK1, PDK4, PDK2 SMN1; SMN2 3384/4885ALDH1A1 2275/4885POLB 4129/4885

“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.