SCHEMBL23988418

SCHEMBL23988418

CCOc1ccnc(CS(=O)(=O)c2nc3cc(-n4cccc4)ccc3[nH]2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.40
TSHR P16473 2/20 0.38
KMT2A Q03164 5/20 0.34
ATP1A1 P05023 4/20 0.34
ATP1B1 P05026 4/20 0.34
ATP1A3 P13637 4/20 0.34
ATP1B2 P14415 4/20 0.34
ATP4A P20648 4/20 0.34
ATP1A2 P50993 4/20 0.34
ATP4B P51164 4/20 0.34
ATP1B3 P54709 4/20 0.34
FXYD2 P54710 4/20 0.34
ATP1A4 Q13733 4/20 0.34
WDR5 P61964 3/20 0.34
ENGASE Q8NFI3 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
DDAH1 O94760 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL23988303 0.92 CYP2C9 (0.44) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL31028113 0.92 CYP2C9 (0.44) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL23988509 0.89 CYP2C9 (0.47) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL23988417 0.89 ATP4A (0.47) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL26762375 0.85 CYP2C9 (0.44) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL29573675 0.84 CYP2C9 (0.51) CYP2C9KMT2AATP1A1ATP1B1ATP1A3
SCHEMBL23988416 0.84 CYP2C9 (0.42) CYP2C9ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL29527310 0.84 CYP2C9 (0.43) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL26639256 0.84 CYP2C9 (0.43) CYP2C9TSHRKMT2AATP1A1ATP1B1
SCHEMBL23988419 0.80 CYP2C9 (0.65) CYP2C9KMT2AATP1A1ATP1B1ATP1A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885TSHR 3759/4885KMT2A 3380/4885

“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.