Sugi Predict

Sugi Predict / Compounds / SCHEMBL5763405

SCHEMBL5763405

SCHEMBL5763405

COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3n2S(=O)(=O)c2ccc(OCC(=O)O)cc2)c1C.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PSEN1 P49768 6/20 0.40
▸ PSEN2 P49810 6/20 0.40
▸ APH1B Q8WW43 6/20 0.40
▸ NCSTN Q92542 6/20 0.40
▸ APH1A Q96BI3 6/20 0.40
▸ PSENEN Q9NZ42 6/20 0.40
▸ CYP2C9 P11712 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DDAH1 O94760 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL13053533 0.99 ALDH1A1 (0.44) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL5763423 0.99 ALDH1A1 (0.44) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL5763411 0.93 ALDH1A1 (0.44) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL7013495 0.93 ALDH1A1 (0.43) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL5761949 0.91 ALDH1A1 (0.36) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL5761921 0.91 ALDH1A1 (0.36) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL7012259 0.90 SMN1; SMN2 (0.40) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL5760364 0.88 MAPT (0.44) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL7011482 0.88 ALDH1A1 (0.40) ALDH1A1HTTTP53SMN1; SMN2TSHR
SCHEMBL13138459 0.87 MAPT (0.44) ALDH1A1HTTTP53SMN1; SMN2TSHR

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 ALDH1A1 397/4885HTT 2162/4885TP53 1314/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ALDH1A1 405/4885HTT 1653/4885TP53 913/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885HTT 2252/4885TP53 1233/4885

“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.