Sugi Predict

Sugi Predict / Compounds / SCHEMBL5762633

SCHEMBL5762633

SCHEMBL5762633

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1cc(C(=O)O)ccc1C.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 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

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
SCHEMBL5762654 0.98 CYP2C9 (0.39) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5364400 0.94 HSD17B10 (0.42) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5760701 0.94 CYP2C9 (0.40) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL14356240 0.93 HSD17B10 (0.42) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5762637 0.93 CYP2C9 (0.39) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5760713 0.93 CYP2C9 (0.40) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5762701 0.90 CYP2C9 (0.39) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5762716 0.89 CYP2C9 (0.39) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5761891 0.89 CYP2C9 (0.39) CYP2C9HSD17B10HSP90AA1HSP90AB1KMT2A
SCHEMBL5760706 0.87 CYP2C9 (0.41) CYP2C9HSD17B10KMT2AMEN1HPGD

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 CYP2C9 92/4885HSD17B10 689/4885HSP90AA1 834/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885HSD17B10 610/4885HSP90AA1 827/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885HSD17B10 661/4885HSP90AA1 796/4885

“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.