SCHEMBL23988409

SCHEMBL23988409

Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2cc(-n3cccc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 4/20 0.45
WDR5 P61964 3/20 0.45
KMT2A Q03164 3/20 0.45
ENGASE Q8NFI3 3/20 0.45
ATP4A P20648 3/20 0.45
ATP4B P51164 3/20 0.45
SARM1 Q6SZW1 3/20 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

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
SCHEMBL8472843 1.00 CYP2C9 (0.46) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL23988451 1.00 CYP2C9 (0.46) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8524100 0.93 NPC1 (0.39) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL24571936 0.89 CYP2C9 (0.33) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
Ilaprazole SCHEMBL23988478 0.88 ATP1A1 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
Ilaprazole SCHEMBL22734704 0.88 ATP1A1 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
Ilaprazole SCHEMBL29364741 0.88 ATP1A1 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
Ilaprazole SCHEMBL1179039 0.88 ATP1A1 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
Ilaprazole SCHEMBL22734706 0.88 ATP1A1 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6
Ilaprazole SCHEMBL8470106 0.88 ATP1A1 (0.36) CYP2C9NPC1CYP1A2CYP3A4CYP2D6

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 4152/4885NPC1 1955/4885CYP1A2 4464/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885NPC1 1955/4885CYP1A2 4464/4885

“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.