Sugi Predict

Sugi Predict / Compounds / SCHEMBL6477928

SCHEMBL6477928

SCHEMBL6477928

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(=O)OCCS(=O)(=O)c4ccc(C)cc4)cc3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ WDR5 P61964 2/20 0.34
▸ BRS3 P32247 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ DDAH1 O94760 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ATP1A1 P05023 1/20 0.34
▸ ATP1B1 P05026 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 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
SCHEMBL5760319 0.94 CYP2C9 (0.38) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL5763545 0.93 CYP2C9 (0.37) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL5370630 0.89 CYP2C9 (0.42) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL14495759 0.89 CYP2C9 (0.42) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL3771197 0.88 CYP2C9 (0.34) CYP2C9ALDH1A1DDAH1ENGASEGAA
SCHEMBL7012965 0.88 CYP2C9 (0.46) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL5762088 0.88 CYP2C9 (0.36) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL5762125 0.88 CYP2C9 (0.38) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL5763887 0.88 CYP2C9 (0.36) CYP2C9KMT2AALDH1A1MAPTWDR5
SCHEMBL5761903 0.87 CYP2C9 (0.38) CYP2C9KMT2AALDH1A1MAPTWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2C9 92/4885KMT2A 2483/4885ALDH1A1 397/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885KMT2A 2592/4885ALDH1A1 405/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885KMT2A 2545/4885ALDH1A1 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.