SCHEMBL5366382

SCHEMBL5366382

COC(=O)C(C)(C)COc1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP2C9 P11712 1/20 0.47
ATM Q13315 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13948727 0.82 CYP2C9 (0.46) HPGDRAB9ANPC1CYP2C9KMT2A
SCHEMBL3881117 0.80 DGAT1 (0.49) MAPTLMNAGAATDP1ALDH1A1
SCHEMBL14356230 0.79 CYP2C9 (0.43) HPGDNPC1CYP2C9KMT2AMAPT
SCHEMBL21991921 0.78 CYP2C9 (0.75) HPGDCYP2C9KMT2AMAPTMEN1
SCHEMBL8263994 0.78 ALDH1A1 (0.48) RAB9AKMT2AMAPTMEN1LMNA
SCHEMBL21991531 0.78 SSTR4 (0.53) KMT2AMAPTMEN1LMNAGAA
SCHEMBL21748570 0.78 SSTR4 (0.53) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL5367643 0.77 SSTR4 (0.51) HPGDRAB9ANPC1MAPTL3MBTL1
SCHEMBL5361855 0.77 CYP2C9 (0.37) HPGDCYP2C9L3MBTL1
SCHEMBL9936493 0.77 KDM4E (0.50) CYP2C9KMT2AMAPTMEN1L3MBTL1

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 11 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
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-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US 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 (4 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 HPGD 127/4885RAB9A 355/4885NPC1 481/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 HPGD 19/4885RAB9A 1062/4885NPC1 971/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI HPGD 97/4885RAB9A 555/4885NPC1 374/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI HPGD 118/4885RAB9A 336/4885NPC1 570/4885

“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.