SCHEMBL23988263

SCHEMBL23988263

COc1c(C)cnc(C[S@@+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 11/20 0.54
ATP4B P51164 11/20 0.54
ATP1A1 P05023 8/20 0.54
ATP1B1 P05026 8/20 0.54
ATP1A3 P13637 8/20 0.54
ATP1B2 P14415 8/20 0.54
ATP1A2 P50993 8/20 0.54
ATP1B3 P54709 8/20 0.54
FXYD2 P54710 8/20 0.54
ATP1A4 Q13733 8/20 0.54
BRS3 P32247 2/20 0.43
KMT2A Q03164 5/20 0.42
WDR5 P61964 4/20 0.42
CYP2C9 P11712 3/20 0.42
DDAH1 O94760 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ABCB1 P08183 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL9528698 1.00 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988505 1.00 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6872824 0.94 ATP4A (0.49) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL6882490 0.92 ATP4A (0.55) ATP4AATP4BATP1A1ATP1B1ATP1A3
Omeprazole SCHEMBL29538900 0.90 BRS3 (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
Esomeprazole SCHEMBL29673044 0.90 BRS3 (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
Omeprazole SCHEMBL30179968 0.90 BRS3 (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
Omeprazole SCHEMBL1560726 0.90 BRS3 (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
Omeprazole SCHEMBL82985 0.90 BRS3 (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3
Omeprazole SCHEMBL1191 0.90 BRS3 (0.52) ATP4AATP4BATP1A1ATP1B1ATP1A3

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-20220202796-A1 CXCL10 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-06-30 US disclosed
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 (2 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-20220202796-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ATP4A 4581/4885ATP4B 4629/4885ATP1A1 4691/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ATP4A 4581/4885ATP4B 4629/4885ATP1A1 4691/4885

“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.