SCHEMBL23988476

SCHEMBL23988476

COc1c(C)cnc(CS(=O)(=O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.76
KMT2A Q03164 4/20 0.61
WDR5 P61964 3/20 0.61
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
SARM1 Q6SZW1 2/20 0.46
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
BRS3 P32247 2/20 0.45
DDAH1 O94760 2/20 0.45
ENGASE Q8NFI3 2/20 0.45
ATP1A1 P05023 2/20 0.45
ATP1B1 P05026 2/20 0.45
ATP1A3 P13637 2/20 0.45
ATP1B2 P14415 2/20 0.45
ATP1A2 P50993 2/20 0.45
ATP1B3 P54709 2/20 0.45
FXYD2 P54710 2/20 0.45
ATP1A4 Q13733 2/20 0.45

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
SCHEMBL23988414 0.86 SARM1 (0.64) CYP2C9KMT2AWDR5ALDH1A1TP53
Omeprazole Sulfone SCHEMBL29415504 0.86 CYP2C9 (0.85) CYP2C9KMT2AWDR5ALDH1A1TP53
Omeprazole Sulfone SCHEMBL33721996 0.86 CYP2C9 (0.85) CYP2C9KMT2AWDR5ALDH1A1TP53
Omeprazole Sulfone SCHEMBL4950986 0.86 CYP2C9 (1.00) CYP2C9KMT2AWDR5ALDH1A1SARM1
Omeprazole Sulfone SCHEMBL2340649 0.86 CYP2C9 (0.85) CYP2C9KMT2AWDR5ALDH1A1TP53
Omeprazole Sulfone SCHEMBL28015857 0.85 CYP2C9 (0.83) CYP2C9KMT2AWDR5ALDH1A1TP53
SCHEMBL23988419 0.83 CYP2C9 (0.65) CYP2C9KMT2AWDR5ALDH1A1TP53
SCHEMBL23988472 0.81 CYP2C9 (0.70) CYP2C9KMT2AWDR5ALDH1A1TP53
SCHEMBL23988443 0.81 CYP2C9 (0.70) CYP2C9KMT2AWDR5ALDH1A1TP53
SCHEMBL23988420 0.81 CYP2C9 (0.51) CYP2C9KMT2AWDR5ALDH1A1TP53

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 CYP2C9 4152/4885KMT2A 3380/4885WDR5 3395/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885KMT2A 3380/4885WDR5 3395/4885

“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.