SCHEMBL23988601

SCHEMBL23988601

COCCCOc1ccnc(C[S@@+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.57
KMT2A Q03164 2/20 0.57
ATP4A P20648 12/20 0.44
ATP4B P51164 12/20 0.44
ATP1A1 P05023 8/20 0.44
ATP1B1 P05026 8/20 0.44
ATP1A3 P13637 8/20 0.44
ATP1B2 P14415 8/20 0.44
ATP1A2 P50993 8/20 0.44
ATP1B3 P54709 8/20 0.44
FXYD2 P54710 8/20 0.44
ATP1A4 Q13733 8/20 0.44
CYP2C9 P11712 4/20 0.43
DDAH1 O94760 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ADRA1A P35348 2/20 0.43
FASN P49327 2/20 0.43

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
SCHEMBL4980099 1.00 WDR5 (0.57) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL4981937 1.00 WDR5 (0.57) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL4982231 0.99 WDR5 (0.56) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL4982035 0.99 WDR5 (0.56) WDR5KMT2AATP4AATP4BATP1A1
Pantoprazole SCHEMBL19065028 0.91 WDR5 (0.51) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL23988292 0.90 ATP4A (0.54) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL23988479 0.90 ATP4A (0.54) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL2743026 0.90 ATP4A (0.54) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL23988394 0.90 KMT2A (0.46) WDR5KMT2AATP4AATP4BATP1A1
SCHEMBL8503315 0.90 KMT2A (0.46) WDR5KMT2AATP4AATP4BATP1A1

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 WDR5 3395/4885KMT2A 3380/4885ATP4A 4581/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 WDR5 3395/4885KMT2A 3380/4885ATP4A 4581/4885

“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.