SCHEMBL23988454

SCHEMBL23988454

CCOc1c(C)cnc(C[S+]([O-])c2nc3cc(OC)ccc3[nH]2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.45
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
WDR5 P61964 3/20 0.43
CYP2C9 P11712 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
ATP1A1 P05023 2/20 0.43
ATP1B1 P05026 2/20 0.43
ATP1A3 P13637 2/20 0.43
ATP1B2 P14415 2/20 0.43
ATP4A P20648 2/20 0.43
ATP1A2 P50993 2/20 0.43
ATP4B P51164 2/20 0.43
ATP1B3 P54709 2/20 0.43
FXYD2 P54710 2/20 0.43
ATP1A4 Q13733 2/20 0.43

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
Omeprazole SCHEMBL1560978 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Omeprazole SCHEMBL30179968 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Omeprazole SCHEMBL29538900 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Omeprazole SCHEMBL1560726 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Omeprazole SCHEMBL1191 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Esomeprazole SCHEMBL21628 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Omeprazole SCHEMBL82985 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Esomeprazole SCHEMBL29673044 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Esomeprazole SCHEMBL29350786 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9
Omeprazole SCHEMBL28256110 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1WDR5CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 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-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 BRS3 4688/4885KMT2A 3380/4885ALDH1A1 3507/4885

“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.