SCHEMBL9714044

SCHEMBL9714044

CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.58
TSHR P16473 2/20 0.57
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.46
IDO1 P14902 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46

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
SCHEMBL9713884 0.87 PKM (0.55) ALDH1A1L3MBTL1PKMTSHRTDP1
SCHEMBL9714054 0.86 PKM (0.54) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL9713911 0.84 PKM (0.52) ALDH1A1L3MBTL1PKMTDP1MAPT
SCHEMBL9714057 0.81 PKM (0.48) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL12677894 0.78 TSHR (0.73) ALDH1A1L3MBTL1PKMTSHRTDP1
SCHEMBL23620238 0.75 PKM (1.00) ALDH1A1PKMTDP1MAPTLMNA
SCHEMBL6269491 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1TSHRTDP1MAPT
SCHEMBL12012375 0.73 TSHR (1.00) ALDH1A1L3MBTL1TSHRTDP1MAPT
SCHEMBL9714041 0.73 ALDH1A1 (0.56) ALDH1A1PKMMAPTLMNAGAA
SCHEMBL9713804 0.73 GAA (0.53) ALDH1A1L3MBTL1PKMTSHRLMNA

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 8 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
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 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-20120108631-A1 Sulfonamides for the Modulation of PKM2 PDK1, PDK4, PDK2 ALDH1A1 2275/4885L3MBTL1 2986/4885PKM 5/4885

“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.