SCHEMBL5358313

SCHEMBL5358313

COc1ccc2c(c1)nc(S)n2S(=O)(=O)c1cc(C(=O)OCCS(=O)(=O)c2ccc(C)cc2)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 4/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 3/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORC P51449 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5764788 0.94 PAX8 (0.40) PAX8ALDH1A1POLBMAPTCYP1A2
SCHEMBL5369643 0.82 BRS3 (0.38) PAX8ALDH1A1MAPTCYP2C9GAA
SCHEMBL5359772 0.81 ALDH1A1 (0.37) PAX8ALDH1A1POLBMAPTCYP1A2
SCHEMBL5362269 0.81 CYP2C9 (0.35) PAX8ALDH1A1POLBMAPTCYP1A2
SCHEMBL14356239 0.80 SMN1; SMN2 (0.49) ALDH1A1GAATSHRUSP2RECQL
SCHEMBL5370611 0.79 ALDH1A1 (0.43) ALDH1A1MAPTGAARORC
SCHEMBL5378083 0.77 RORC (0.35) PAX8ALDH1A1POLBMAPTCYP1A2
SCHEMBL5366521 0.75 PAX8 (0.54) PAX8ALDH1A1POLBMAPTGAA
SCHEMBL5358306 0.75 PAX8 (0.42) PAX8ALDH1A1POLBMAPTCYP1A2
SCHEMBL5761974 0.75 CYP2C9 (0.36) PAX8ALDH1A1MAPTCYP1A2CYP3A4

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.