SCHEMBL5358308

SCHEMBL5358308

COc1ccc(C(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1S(=O)(=O)c1c(OC)ccc2[nH]c(S)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5358321 0.87 PAX8 (0.41) PAX8LMNAHPGDNPC1RAB9A
SCHEMBL5359769 0.81 PAX8 (0.37) PAX8LMNAHPGDNPC1RAB9A
SCHEMBL5369638 0.81 BRS3 (0.43) PAX8HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL5370608 0.80 KMT2A (0.40) PAX8LMNAKMT2AGAAMAPT
SCHEMBL5362262 0.80 CYP2C9 (0.34) PAX8HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL5378077 0.79 PAX8 (0.36) PAX8ALDH1A1POLB
SCHEMBL5366521 0.76 PAX8 (0.54) PAX8LMNAHPGDNPC1RAB9A
SCHEMBL5362274 0.72 CYP2C9 (0.36) PAX8HPGDSMN1; SMN2KMT2AMAPT
SCHEMBL5369651 0.72 BRS3 (0.45) PAX8LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL5762315 0.69 PAX8 (0.45) PAX8LMNAHPGDKMT2AGAA

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 3316/4885LMNA 1693/4885HPGD 19/4885

“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.