SCHEMBL5370928

SCHEMBL5370928

COc1ccc2c(c1)nc(S)n2S(=O)(=O)c1ccc(OCC(N)=O)c(OCC(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH3A1 P30838 3/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HPGDS O60760 1/20 0.35
SNCA P37840 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
SCHEMBL5362129 0.92 CXCL8 (0.39) ALDH1A1NPSR1HPGDCXCL8NOD1
SCHEMBL5359147 0.90 CXCL8 (0.44) ALDH1A1NPSR1HPGDCXCL8NOD1
SCHEMBL5378208 0.82 CXCL8 (0.44) ALDH1A1NPSR1HPGDCXCL8NOD1
SCHEMBL14387883 0.80 MAPK1 (0.48) ALDH1A1CXCL8NOD1MEN1KMT2A
SCHEMBL7223820 0.77 CYP2C9 (0.38) ALDH1A1NPSR1HPGDCXCL8NOD1
SCHEMBL5370451 0.75 CXCL8 (0.39) ALDH1A1HPGDCXCL8NOD1TSHR
SCHEMBL14356278 0.74 CXCL8 (0.44) ALDH1A1CXCL8NOD1MEN1KMT2A
SCHEMBL5377800 0.73 TSHR (0.42) ALDH1A1MEN1KMT2ATSHRKDM4E
SCHEMBL14356275 0.72 BRS3 (0.46) ALDH1A1NPSR1HPGDMEN1KMT2A
SCHEMBL5366597 0.72 MAPK1 (0.48) ALDH1A1CXCL8NOD1MEN1KMT2A

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 3 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
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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 (1 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 ALDH1A1 1650/4885NPSR1 1485/4885HPGD 19/4885

“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.