SCHEMBL5358306

SCHEMBL5358306

COc1ccc2c(c1)=NC(S)(S(=O)(=O)c1cc(C(=O)OCCS(=O)(=O)c3ccc(C)cc3)ccc1OC)N=2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.42
ALDH1A1 P00352 7/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HSD11B1 P28845 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL5359776 0.80 ALDH1A1 (0.40) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL5366521 0.77 PAX8 (0.54) PAX8ALDH1A1POLBMAPTKMT2A
SCHEMBL5378086 0.76 ALDH1A1 (0.35) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL5762315 0.75 PAX8 (0.45) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL5358313 0.75 PAX8 (0.40) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL5366708 0.75 LMNA (0.47) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL5765462 0.73 PAX8 (0.43) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL5366557 0.73 MAPT (0.49) ALDH1A1POLBMAPTCYP2C9KMT2A
SCHEMBL5764788 0.70 PAX8 (0.40) PAX8ALDH1A1POLBMAPTCYP2C9
SCHEMBL14578755 0.70 KMT2A (0.57) PAX8ALDH1A1MAPTCYP2C9CYP1A2

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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 PAX8 3316/4885ALDH1A1 1650/4885POLB 1255/4885

“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.