SCHEMBL5377792

SCHEMBL5377792

COc1ccc2[nH]c(S)nc2c1S(=O)(=O)c1c(C)cc(OCC(=O)O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.39
MPO P05164 1/20 0.37
PPARA Q07869 3/20 0.37
GRK6 P43250 1/20 0.36
PPARG P37231 2/20 0.36
MCL1 Q07820 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 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
SCHEMBL5377806 0.84 PDE10A (0.38) PPARDMPOPPARAMCL1POLB
SCHEMBL6511355 0.83 TDP1 (0.39) GRK6POLBGAATSHR
SCHEMBL5366655 0.82 TP53 (0.36) TSHR
SCHEMBL5726542 0.82 KMT2A (0.34) POLBGAATSHR
SCHEMBL5359143 0.77 ACACA (0.38) POLBGAA
SCHEMBL5368127 0.77 CYP2C9 (0.39) PPARDMPOPPARAPPARGMCL1
SCHEMBL5378077 0.76 PAX8 (0.36) POLB
SCHEMBL5370447 0.70 DGAT1 (0.37) GAA
SCHEMBL5370542 0.70 CYP2C9 (0.39) MCL1
SCHEMBL5370650 0.69 ALDH1A1 (0.37) POLB

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 4 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-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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 (2 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI PPARD 2263/4885MPO 3096/4885PPARA 3025/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 PPARD 651/4885MPO 3031/4885PPARA 1410/4885

“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.