SCHEMBL23988448

SCHEMBL23988448

COc1ccnc(CS(=O)(=O)c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
ATP4A P20648 12/20 0.47
ATP4B P51164 12/20 0.47
ATP1A1 P05023 8/20 0.47
ATP1B1 P05026 8/20 0.47
ATP1A3 P13637 8/20 0.47
ATP1B2 P14415 8/20 0.47
ATP1A2 P50993 8/20 0.47
ATP1B3 P54709 8/20 0.47
FXYD2 P54710 8/20 0.47
ATP1A4 Q13733 8/20 0.47
RUNX1 Q01196 2/20 0.44
WDR5 P61964 3/20 0.36
KMT2A Q03164 3/20 0.36
ENGASE Q8NFI3 2/20 0.36
KDM4E B2RXH2 2/20 0.36
DDAH1 O94760 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ABCB1 P08183 2/20 0.36

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
SCHEMBL24571944 0.92 CYP2C9 (0.44) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988483 0.91 ATP4A (0.47) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988474 0.91 RUNX1 (0.51) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988603 0.90 KMT2A (0.47) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988406 0.90 CYP2C9 (0.58) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988512 0.89 ATP4A (0.56) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988596 0.86 CYP2C9 (0.52) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL29527860 0.85 CYP2C9 (0.48) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL26639257 0.85 CYP2C9 (0.48) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988472 0.84 CYP2C9 (0.70) CYP2C9ATP4AATP4BATP1A1ATP1B1

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 4152/4885ATP4A 4581/4885ATP4B 4629/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885ATP4A 4581/4885ATP4B 4629/4885

“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.