SCHEMBL23988406

SCHEMBL23988406

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.58
▸ ATP1A1 P05023 6/20 0.43
▸ ATP1B1 P05026 6/20 0.43
▸ ATP1A3 P13637 6/20 0.43
▸ ATP1B2 P14415 6/20 0.43
▸ ATP4A P20648 6/20 0.43
▸ ATP1A2 P50993 6/20 0.43
▸ ATP4B P51164 6/20 0.43
▸ ATP1B3 P54709 6/20 0.43
▸ FXYD2 P54710 6/20 0.43
▸ ATP1A4 Q13733 6/20 0.43
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C19 P33261 1/20 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
SCHEMBL23988519 0.90 CYP2C9 (0.53) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL23988448 0.90 CYP2C9 (0.48) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL23988512 0.90 ATP4A (0.56) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL23988520 0.89 CYP2C9 (0.56) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL23988596 0.89 CYP2C9 (0.52) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL29527860 0.88 CYP2C9 (0.48) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL26639257 0.88 CYP2C9 (0.48) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL23988420 0.86 CYP2C9 (0.51) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL23988303 0.84 CYP2C9 (0.44) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL31028113 0.84 CYP2C9 (0.44) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2

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 4152/4885ATP1A1 4691/4885ATP1B1 4715/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885ATP1A1 4691/4885ATP1B1 4715/4885

“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.

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