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SCHEMBL5764485

SCHEMBL5764485

COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3n2S(=O)(=O)c2cccc(C(=O)O)c2)c1OC.[Na]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 4/20 0.39
▸ ATP4B P51164 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SLC22A2 O15244 1/20 0.39
▸ DDAH1 O94760 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ FASN P49327 1/20 0.39
▸ SLC47A2 Q86VL8 1/20 0.39
▸ SLC47A1 Q96FL8 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PIK3C2B O00750 1/20 0.34
▸ PIK3C2G O75747 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
SCHEMBL5764467 0.99 ATP4A (0.39) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5764403 0.94 ATP4A (0.41) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5764473 0.94 ATP4A (0.39) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5764384 0.94 ATP4A (0.40) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL7007925 0.92 ATP4A (0.43) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL7008228 0.89 ATP4A (0.44) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5764475 0.89 ATP4A (0.39) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL7007655 0.89 RORC (0.40) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL5764389 0.89 ATP4A (0.41) ATP4AATP4BALDH1A1HPGDCYP2C9
SCHEMBL14465232 0.88 ATP4A (0.42) ATP4AATP4BALDH1A1HPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (3 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 ATP4A 41/4885ATP4B 61/4885ALDH1A1 397/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ATP4A 71/4885ATP4B 90/4885ALDH1A1 405/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ATP4A 38/4885ATP4B 42/4885ALDH1A1 494/4885

“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.