SCHEMBL5367213

SCHEMBL5367213

COC(=O)CCCCCNC(=O)COc1cc(C)c(S(=O)(=O)c2c(OC)ccc3[nH]c(SCc4ncc(C)c(OC)c4C)nc23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.44
MAPK1 P28482 1/20 0.36
ENPP1 P22413 10/20 0.35
CYP2C9 P11712 2/20 0.34
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.32
ENPP2 Q13822 2/20 0.32
KDM4E B2RXH2 1/20 0.31
DDAH1 O94760 1/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL5358420 0.92 BRS3 (0.44) BRS3MAPK1ENPP1CYP2C9HTT
SCHEMBL5367233 0.90 BRS3 (0.46) BRS3MAPK1ENPP1CYP2C9HTT
SCHEMBL5369389 0.87 CYP2C9 (0.34) BRS3CYP2C9HTTKMT2AENPP2
SCHEMBL5363676 0.86 BRS3 (0.52) BRS3ENPP1CYP2C9HTTKMT2A
SCHEMBL5366655 0.82 TP53 (0.36) MAPK1HTTKMT2AMAPTPKM
SCHEMBL5358428 0.82 BRS3 (0.46) BRS3MAPK1CYP2C9HTTKMT2A
SCHEMBL5725280 0.80 BRS3 (0.55) BRS3ENPP1CYP2C9HTTKMT2A
SCHEMBL6505209 0.80 BRS3 (0.50) BRS3ENPP1CYP2C9HTTKMT2A
SCHEMBL5369395 0.80 CYP2C9 (0.35) BRS3MAPK1CYP2C9HTTKMT2A
SCHEMBL5370913 0.80 ENPP2 (0.34) BRS3CYP2C9HTTKMT2AENPP2

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 BRS3 186/4885MAPK1 1186/4885ENPP1 283/4885

“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.