SCHEMBL5364400

SCHEMBL5364400

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1cc(C(=O)O)ccc1OC.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 1/20 0.36
ALPL P05186 4/20 0.35
WDR5 P61964 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 2/20 0.34
BRS3 P32247 2/20 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
SCHEMBL14356240 0.99 HSD17B10 (0.42) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL5762633 0.94 CYP2C9 (0.39) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL5762654 0.93 CYP2C9 (0.39) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL14356238 0.90 SMN1; SMN2 (0.41) HSD17B10TSHRNPSR1HPGDCYP2C9
SCHEMBL14387878 0.89 SMN1; SMN2 (0.40) HSD17B10TSHRNPSR1HPGDCYP2C9
SCHEMBL5762701 0.88 CYP2C9 (0.39) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL5760701 0.88 CYP2C9 (0.40) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL5763949 0.88 CYP2C9 (0.39) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL5762716 0.87 CYP2C9 (0.39) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1
SCHEMBL5763970 0.87 CYP2C9 (0.39) HSD17B10HSP90AA1HSP90AB1TSHRNPSR1

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 6 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
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-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 (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 HSD17B10 689/4885HSP90AA1 834/4885HSP90AB1 674/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 HSD17B10 3015/4885HSP90AA1 2427/4885HSP90AB1 1793/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI HSD17B10 661/4885HSP90AA1 796/4885HSP90AB1 653/4885

“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.