SCHEMBL4167643

SCHEMBL4167643

Cc1ccc(S(=O)(=O)Oc2ccc(Oc3ccc(S(=O)(=O)Cc4ccc5ccccc5n4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ENPP2 Q13822 1/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PDE10A Q9Y233 1/20 0.39
CA2 P00918 1/20 0.39
MMP3 P08254 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
GFER P55789 1/20 0.38
HPGD P15428 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
SCHEMBL8237354 0.97 KEAP1 (0.48) KEAP1NFE2L2KDM4EENPP2HTT
SCHEMBL28330143 0.86 KDM4E (0.54) KEAP1NFE2L2KDM4ETDP1GAA
SCHEMBL28331567 0.80 MMP3 (0.55) KEAP1NFE2L2KDM4EHTTSMN1; SMN2
SCHEMBL4174306 0.76 ALDH1A1 (0.47) KEAP1NFE2L2KDM4EENPP2SMN1; SMN2
SCHEMBL18282366 0.75 HTT (0.72) KEAP1NFE2L2ENPP2HTTSMN1; SMN2
SCHEMBL28246862 0.75 NPC1 (0.50) KDM4EHTTSMN1; SMN2TDP1MEN1
SCHEMBL16714258 0.75 HTT (0.67) KEAP1NFE2L2ENPP2HTTSMN1; SMN2
SCHEMBL30041498 0.74 KDM4E (0.50) KEAP1NFE2L2KDM4EGAAALDH1A1
SCHEMBL6572241 0.74 KDM4E (0.50) KEAP1NFE2L2KDM4EGAAALDH1A1
SCHEMBL28330248 0.74 FAAH (0.43) KDM4ESMN1; SMN2MEN1KMT2APDE10A

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-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production ROSKAMP RESEARCH LLC (US) 2009-01-15 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-20090017112-A1 Compounds for Inhibiting Beta-Amyloid Production PSEN1, PSEN2, APP KEAP1 684/4885NFE2L2 820/4885KDM4E 4787/4885

“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.