SCHEMBL5359147

SCHEMBL5359147

COc1ccc2c(c1)nc(S)n2S(=O)(=O)c1ccc(OCC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 7/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
HTR6 P50406 1/20 0.40
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PKM P14618 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRF1 P14222 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
SCHEMBL5378208 0.92 CXCL8 (0.44) CXCL8NOD1ALDH1A1NPSR1HPGD
SCHEMBL5370928 0.90 ALDH1A1 (0.41) CXCL8NOD1ALDH1A1NPSR1HPGD
SCHEMBL14387883 0.90 MAPK1 (0.48) CXCL8NOD1ALDH1A1TSHRLMNA
SCHEMBL5370451 0.82 CXCL8 (0.39) CXCL8NOD1ALDH1A1HPGDHTR6
SCHEMBL5362129 0.82 CXCL8 (0.39) CXCL8NOD1ALDH1A1NPSR1HPGD
SCHEMBL5366597 0.81 MAPK1 (0.48) CXCL8NOD1ALDH1A1TSHRLMNA
SCHEMBL5370652 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2APKM
SCHEMBL14356278 0.80 CXCL8 (0.44) CXCL8NOD1ALDH1A1HTR6TSHR
SCHEMBL5377800 0.78 TSHR (0.42) ALDH1A1TSHRHTTLMNAMEN1
SCHEMBL5367609 0.77 BRS3 (0.46) CXCL8NOD1ALDH1A1NPSR1HPGD

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
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
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO 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 CXCL8 4535/4885NOD1 2294/4885ALDH1A1 1650/4885

“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.