SCHEMBL5370935

SCHEMBL5370935

COc1ccc2nc(S)[nH]c2c1S(=O)(=O)c1ccc(OCC(N)=O)c(OCC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PLAU P00749 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL5359154 0.89 PDE10A (0.40) POLBMAPK1PDE10AALDH1A1HPGD
SCHEMBL5370926 0.84 SNCA (0.40) SNCAPOLBTSHRMAPK1PDE10A
SCHEMBL5362138 0.83 SNCA (0.36) SNCAPOLBTSHRMAPK1PDE10A
SCHEMBL5358488 0.77 BRS3 (0.51) SNCAPDE10AALDH1A1HPGDKDM4E
SCHEMBL5362123 0.77 PTGER3 (0.37) SNCAPOLBTSHRMAPK1PDE10A
SCHEMBL5377806 0.74 PDE10A (0.38) POLBTSHRPDE10AHPGDKDM4E
SCHEMBL5370454 0.74 DGAT1 (0.37) MAPK1ALDH1A1HPGDNAMPTMEN1
SCHEMBL5359143 0.73 ACACA (0.38) POLBMAPK1PDE10AALDH1A1KDM4E
SCHEMBL5378214 0.71 ALDH1A1 (0.36) POLBPDE10AALDH1A1MEN1KMT2A
SCHEMBL5370660 0.71 ALDH1A1 (0.37) POLBMAPK1ALDH1A1CYP3A4CYP2C19

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 2 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-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 SNCA 3558/4885POLB 1255/4885TSHR 2081/4885

“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.