SCHEMBL5358675

SCHEMBL5358675

COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2N)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.77
TSHR P16473 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 5/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
GLA P06280 1/20 0.50
KEAP1 Q14145 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL5368049 0.91 MAPK1 (0.63) MAPK1TSHRL3MBTL1POLBKDM4E
SCHEMBL5367210 0.83 MAPK1 (0.72) MAPK1TSHRL3MBTL1POLBKDM4E
SCHEMBL5368085 0.81 MAPK1 (0.60) MAPK1TSHRL3MBTL1POLBKDM4E
SCHEMBL5359253 0.80 MAPK1 (0.55) MAPK1TSHRLMNAHTTKMT2A
SCHEMBL5370453 0.80 ALDH1A1 (0.73) MAPK1TSHRL3MBTL1POLBKDM4E
SCHEMBL5359271 0.77 MAPK1 (0.47) MAPK1TSHRLMNAHTTKMT2A
SCHEMBL14356231 0.76 MAPK1 (0.54) MAPK1TSHRL3MBTL1POLBLMNA
SCHEMBL5368271 0.76 MAPK1 (0.53) MAPK1TSHRL3MBTL1POLBKDM4E
SCHEMBL5361866 0.75 MAPK1 (0.58) MAPK1TSHRL3MBTL1POLBLMNA
SCHEMBL8231621 0.75 ALDH1A1 (0.69) MAPK1TSHRL3MBTL1POLBKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040112-A1 COMPOUNDS WITH PGD2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2005-05-06 WO claimed
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 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
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
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 MAPK1 590/4885TSHR 2184/4885L3MBTL1 3178/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPK1 1186/4885TSHR 2081/4885L3MBTL1 4478/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPK1 837/4885TSHR 1929/4885L3MBTL1 4035/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPK1 819/4885TSHR 2077/4885L3MBTL1 3350/4885

“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.