SCHEMBL10167002

SCHEMBL10167002

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RORC P51449 3/20 0.40
SFRP1 Q8N474 6/20 0.39
WNT3 P56703 3/20 0.39
HSD11B1 P28845 2/20 0.39
TSHR P16473 2/20 0.38
NR1I2 O75469 1/20 0.38
RORA P35398 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
RORB Q92753 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10167004 0.83 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2POLBMAPTSFRP1
SCHEMBL11226587 0.76 CHRM2 (0.40) L3MBTL1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL27841266 0.73 ALDH1A1 (0.63) L3MBTL1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL4201103 0.71 HTR6 (0.48) ALDH1A1SMN1; SMN2POLBMAPTSFRP1
SCHEMBL4616057 0.67 SFRP1 (0.48) ALDH1A1SMN1; SMN2POLBMAPTSFRP1
SCHEMBL4618091 0.67 FFAR4 (0.49) ALDH1A1SMN1; SMN2POLBMAPTSFRP1
SCHEMBL9660731 0.67 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBMAPTSFRP1
(Phenylsulfonyl)Benzene SCHEMBL10870153 0.66 HTR6 (0.82) L3MBTL1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL10167015 0.66 RORC (0.38) ESR1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL4615993 0.65 SFRP1 (0.55) SFRP1WNT3HSD11B1

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 ESR1 2454/4885L3MBTL1 2986/4885ALDH1A1 2275/4885

“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.