SCHEMBL6506982

SCHEMBL6506982

Cc1ccc(S(=O)(=O)CCOC(=O)c2cccc(S(=O)(=O)n3c([S+]([O-])Cc4nccc(OCC(F)(F)F)c4C)nc4ccccc43)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NOD1 Q9Y239 3/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
WDR5 P61964 2/20 0.33
KMT2A Q03164 2/20 0.33
ENGASE Q8NFI3 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 2/20 0.33
SARM1 Q6SZW1 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5762670 0.92 MAPT (0.36) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5762509 0.91 MAPT (0.38) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5763137 0.91 MAPT (0.38) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5760947 0.90 GAA (0.35) MAPTNPC1RAB9ACYP2C9NOD1
SCHEMBL5761996 0.87 MAPT (0.44) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5763367 0.87 MAPT (0.44) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5762005 0.87 MAPT (0.43) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5762524 0.87 MAPT (0.39) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5760766 0.86 MAPT (0.39) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5762958 0.86 MAPT (0.37) MAPTNPC1RAB9ACYP1A2CYP3A4

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-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 (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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPT 4128/4885NPC1 374/4885RAB9A 555/4885

“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.