Sugi Predict

Sugi Predict / Compounds / SCHEMBL5366920

SCHEMBL5366920

SCHEMBL5366920

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(OCC(C)(C)C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ HTT P42858 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ WDR5 P61964 2/20 0.35
▸ BRS3 P32247 2/20 0.35
▸ ATP1A1 P05023 2/20 0.35
▸ ATP1B1 P05026 2/20 0.35
▸ ATP1A3 P13637 2/20 0.35
▸ ATP1B2 P14415 2/20 0.35
▸ ATP4A P20648 2/20 0.35
▸ ATP1A2 P50993 2/20 0.35
▸ ATP4B P51164 2/20 0.35
▸ ATP1B3 P54709 2/20 0.35
▸ FXYD2 P54710 2/20 0.35
▸ ATP1A4 Q13733 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DDAH1 O94760 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
SCHEMBL5763544 1.00 KMT2A (0.39) KMT2ACYP2C9MEN1ALDH1A1HTT
SCHEMBL5360440 0.99 KMT2A (0.38) KMT2ACYP2C9MEN1ALDH1A1HTT
SCHEMBL5367198 0.99 KMT2A (0.38) KMT2ACYP2C9MEN1ALDH1A1HTT
SCHEMBL5763533 0.94 CYP2C9 (0.40) KMT2ACYP2C9MEN1ALDH1A1HTT
SCHEMBL14356232 0.94 CYP2C9 (0.39) KMT2ACYP2C9MEN1ALDH1A1HTT
Agn-201904 SCHEMBL5764653 0.89 CYP2C9 (0.41) KMT2ACYP2C9MEN1ALDH1A1HTT
Agn-201904 SCHEMBL5330690 0.89 CYP2C9 (0.41) KMT2ACYP2C9MEN1ALDH1A1HTT
Agn-201904 SCHEMBL29596867 0.89 CYP2C9 (0.41) KMT2ACYP2C9MEN1ALDH1A1HTT
Agn-201904 SCHEMBL2245875 0.89 CYP2C9 (0.41) KMT2ACYP2C9MEN1ALDH1A1HTT
SCHEMBL7009476 0.89 CYP2C9 (0.45) KMT2ACYP2C9MEN1ALDH1A1HTT

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 9 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-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
WO-2005077931-A2 METHOD FOR THE PRODUCTION OF 1-[N2-[3,5-DIBROMO-N-[[4-(3,4-DIHYDRO-2(1H)-OXOQUINAZOLINE-3-YL)-1-PIPERIDINYL]CARBONYL]-D-TYROSYL]-L-LYSYL]-4-(4-PYRIDINYL)-PIPERAZINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-25 — — WO 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-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 (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 KMT2A 2483/4885CYP2C9 92/4885MEN1 1514/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 KMT2A 1672/4885CYP2C9 59/4885MEN1 2438/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI KMT2A 2592/4885CYP2C9 49/4885MEN1 1242/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI KMT2A 2545/4885CYP2C9 83/4885MEN1 1915/4885

“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.