SCHEMBL5370608

SCHEMBL5370608

COc1ccc2[nH]c(S)nc2c1S(=O)(=O)c1ccc(CCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 6/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.34

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
SCHEMBL5370613 0.87 KMT2A (0.40) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5359769 0.85 PAX8 (0.37) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5364325 0.81 BRS3 (0.42) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5358308 0.80 PAX8 (0.41) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5378077 0.76 PAX8 (0.36) ALDH1A1PAX8
SCHEMBL5368616 0.73 ALDH1A1 (0.56) KMT2AALDH1A1GAALMNAL3MBTL1
SCHEMBL5364335 0.72 BRS3 (0.43) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL5359143 0.71 ACACA (0.38) KMT2AALDH1A1GAALMNAL3MBTL1
SCHEMBL5760505 0.68 ALDH1A1 (0.54) KMT2AALDH1A1GAALMNAPAX8
SCHEMBL14578750 0.68 LMNA (0.61) KMT2AALDH1A1GAALMNAPAX8

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 KMT2A 1672/4885ALDH1A1 1650/4885GAA 134/4885

“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.