SCHEMBL5359690

SCHEMBL5359690

NC(=O)COc1ccc(S(N)(=O)=O)cc1OCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
SNCA P37840 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.42
CA2 P00918 5/20 0.42
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL5362471 0.85 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2PTGDR2SNCA
SCHEMBL8193976 0.77 CA2 (0.59) ALDH1A1GAASMN1; SMN2HTTCA2
SCHEMBL5363756 0.73 LMNA (0.62) ALDH1A1SMN1; SMN2HTTCA9CA12
SCHEMBL23143830 0.73 PTGDR2 (0.47) ALDH1A1PTGDR2KDM4EHTTKMT2A
SCHEMBL20915127 0.73 TDP1 (0.62) GAASMN1; SMN2PTGDR2HTTCA2
SCHEMBL5362778 0.72 HTT (0.71) ALDH1A1GAASMN1; SMN2KDM4EHTT
SCHEMBL1129234 0.71 KDM4E (0.56) GAASMN1; SMN2KDM4EHTTCA2
SCHEMBL3901499 0.71 CASP6 (0.46) ALDH1A1PTGDR2KDM4EHTTMEN1
SCHEMBL2007287 0.71 POLB (0.70) GAASMN1; SMN2HTTCA2CA1
SCHEMBL5366352 0.70 PTGDR2 (0.50) ALDH1A1SMN1; SMN2PTGDR2MAPTPOLB

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
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 ALDH1A1 1650/4885GAA 134/4885SMN1; SMN2 2675/4885

“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.