SCHEMBL6511241

SCHEMBL6511241

COc1ccc(NS(=O)(=O)c2c(C)cc(OC(C)C(=O)O)cc2C)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NPSR1 Q6W5P4 3/20 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
SCHEMBL6506827 0.83 MAPT (0.48) TDP1ALDH1A1KMT2ALMNAMEN1
SCHEMBL6506834 0.83 MAPT (0.48) TDP1ALDH1A1KMT2ALMNAMEN1
SCHEMBL5724390 0.82 ALDH1A1 (0.46) ALDH1A1KEAP1KMT2ALMNAMEN1
SCHEMBL5378279 0.81 TSHR (0.54) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL5724955 0.81 CYTH2 (0.53) TDP1ALDH1A1KEAP1KMT2ALMNA
SCHEMBL5724386 0.80 ALDH1A1 (0.44) ALDH1A1KEAP1KMT2ALMNAMEN1
SCHEMBL14356231 0.79 MAPK1 (0.54) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL6504667 0.69 TDP1 (0.58) TDP1ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL6511352 0.69 TDP1 (0.46) TDP1ALDH1A1KMT2ATSHRGAA
SCHEMBL5762543 0.68 ALDH1A1 (0.46) TDP1ALDH1A1KEAP1NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 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 (2 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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI TDP1 2288/4885ALDH1A1 405/4885KEAP1 2908/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI TDP1 2456/4885ALDH1A1 494/4885KEAP1 3992/4885

“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.