SCHEMBL23988596

SCHEMBL23988596

COc1ccc2[nH]c(S(=O)(=O)Cc3nccc(OCC(F)(F)F)c3C)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
ATP4A P20648 10/20 0.48
ATP4B P51164 10/20 0.48
ATP1A1 P05023 8/20 0.48
ATP1B1 P05026 8/20 0.48
ATP1A3 P13637 8/20 0.48
ATP1B2 P14415 8/20 0.48
ATP1A2 P50993 8/20 0.48
ATP1B3 P54709 8/20 0.48
FXYD2 P54710 8/20 0.48
ATP1A4 Q13733 8/20 0.48
WDR5 P61964 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
ENGASE Q8NFI3 3/20 0.47
NPC1 O15118 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL23988483 0.92 ATP4A (0.47) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988481 0.90 ATP4A (0.45) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL26639276 0.90 ATP4A (0.49) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL29527545 0.90 ATP4A (0.49) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988406 0.89 CYP2C9 (0.58) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL26639273 0.89 ATP4A (0.48) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988448 0.86 CYP2C9 (0.48) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL23988519 0.86 CYP2C9 (0.53) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL30052062 0.85 CYP2C9 (0.63) CYP2C9ATP4AATP4BATP1A1ATP1B1
SCHEMBL106666 0.85 CYP2C9 (0.63) 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.