SCHEMBL5378208

SCHEMBL5378208

COc1ccc2nc(S)n(S(=O)(=O)c3ccc(OCC(N)=O)cc3)c2c1

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 5/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 2/20 0.39
HTR6 P50406 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
PKM P14618 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL5359147 0.92 CXCL8 (0.44) CXCL8NOD1ALDH1A1TSHRHTT
SCHEMBL5362129 0.90 CXCL8 (0.39) CXCL8NOD1ALDH1A1TSHRHTT
SCHEMBL5366597 0.90 MAPK1 (0.48) CXCL8NOD1ALDH1A1TSHRLMNA
SCHEMBL14387815 0.83 MTNR1A (0.39) MTNR1AMTNR1BMAPTKDM4E
SCHEMBL5370928 0.82 ALDH1A1 (0.41) CXCL8NOD1ALDH1A1TSHRHTT
SCHEMBL14387883 0.81 MAPK1 (0.48) CXCL8NOD1ALDH1A1TSHRLMNA
SCHEMBL14387816 0.77 CYP2C9 (0.39) CXCL8NOD1ALDH1A1TSHRHTT
SCHEMBL5365325 0.77 BRS3 (0.48) CXCL8NOD1ALDH1A1TSHRHTT
SCHEMBL14387819 0.76 CYP2C9 (0.39) CXCL8NOD1ALDH1A1TSHRHTT
SCHEMBL7008064 0.76 CYP2C9 (0.42) CXCL8NOD1ALDH1A1TSHRHTT

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 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.