SCHEMBL23988582

SCHEMBL23988582

COc1c(C)cnc(CC(=O)c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 5/20 0.47
ATP1B1 P05026 5/20 0.47
ATP1A3 P13637 5/20 0.47
ATP1B2 P14415 5/20 0.47
ATP4A P20648 5/20 0.47
ATP1A2 P50993 5/20 0.47
ATP4B P51164 5/20 0.47
ATP1B3 P54709 5/20 0.47
FXYD2 P54710 5/20 0.47
ATP1A4 Q13733 5/20 0.47
KMT2A Q03164 5/20 0.44
WDR5 P61964 3/20 0.44
CYP2C9 P11712 2/20 0.44
BRS3 P32247 2/20 0.44
DDAH1 O94760 2/20 0.44
ENGASE Q8NFI3 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PTGS1 P23219 2/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL23988594 0.91 SARM1 (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988352 0.90 KMT2A (0.53) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988345 0.90 ATP4A (0.58) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988581 0.86 SARM1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988287 0.84 ATP4A (0.48) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988370 0.83 SARM1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988346 0.82 BRS3 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988282 0.82 RUNX1 (0.52) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988510 0.82 KMT2A (0.61) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A
SCHEMBL23988472 0.80 CYP2C9 (0.70) ATP1A1ATP1B1ATP1A3ATP1B2ATP4A

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 ATP1A1 4691/4885ATP1B1 4715/4885ATP1A3 4838/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ATP1A1 4691/4885ATP1B1 4715/4885ATP1A3 4838/4885

“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.