SCHEMBL5367871

SCHEMBL5367871

Cc1cc(OCC(=O)O)cc(C)c1S(=O)(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.55
HPGD P15428 2/20 0.54
PTPRB P23467 1/20 0.54
HSD17B10 Q99714 1/20 0.54
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
ALDH1A1 P00352 1/20 0.45
PTPN7 P35236 1/20 0.44
OGG1 O15527 1/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL15412587 0.87 OGG1 (0.43) MCL1HPGDPTPRBHSD17B10THRA
SCHEMBL19766447 0.85 HSD17B10 (0.55) MCL1HPGDPTPRBHSD17B10THRA
SCHEMBL14356223 0.84 PTGS2 (0.46) HPGDPTPRBHSD17B10ALDH1A1OGG1
SCHEMBL2276990 0.83 MCL1 (0.56) MCL1HPGDALDH1A1TSHR
SCHEMBL7285425 0.81 PTGDR2 (0.43) MCL1TDP1TSHR
SCHEMBL5531603 0.79 MCL1 (0.69) MCL1HPGDPTPRBHSD17B10THRA
SCHEMBL13603769 0.78 HPGD (0.69) MCL1HPGDPTPRBHSD17B10THRA
SCHEMBL14958764 0.78 TSHR (0.44) MCL1HPGDALDH1A1OGG1ALOX15
SCHEMBL15413021 0.78 LMNA (0.47) HPGDHSD17B10ALDH1A1LMNAKDM4E
SCHEMBL6516217 0.77 HPGD (0.62) MCL1HPGDPTPRBHSD17B10THRA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2018-05-31 US disclosed
US-9878047-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-09-15 US disclosed
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9309283-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-12 US disclosed
EP-2869820-A2 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS Onyx Therapeutics, Inc. (US) 2015-05-13 EP disclosed
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. 2014-04-17 US disclosed
US-20140100168-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. 2014-04-10 US disclosed
US-20140100154-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. (US) 2014-04-10 US disclosed
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO 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
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO 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 (9 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 MCL1 2795/4885HPGD 127/4885PTPRB 1281/4885
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD MCL1 2071/4885HPGD 344/4885PTPRB 3447/4885
US-20140100168-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD MCL1 2071/4885HPGD 344/4885PTPRB 3447/4885
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD MCL1 2071/4885HPGD 344/4885PTPRB 3447/4885
US-20180147291-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD MCL1 2071/4885HPGD 344/4885PTPRB 3447/4885
US-20140100154-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD MCL1 2071/4885HPGD 344/4885PTPRB 3447/4885
US-10682419-B2 Prodrugs of peptide epoxy ketone protease inhibitors PREP, VIP, PEPD MCL1 2071/4885HPGD 344/4885PTPRB 3447/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MCL1 1479/4885HPGD 19/4885PTPRB 3484/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MCL1 3190/4885HPGD 118/4885PTPRB 1189/4885

“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.