SCHEMBL23988286

SCHEMBL23988286

COc1ccnc(C[S@@+]([O-])c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 3/20 0.51
ATP4A P20648 10/20 0.45
ATP4B P51164 10/20 0.45
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC22A2 O15244 1/20 0.41
DDAH1 O94760 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA1A P35348 1/20 0.41
FASN P49327 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ATP1A1 P05023 4/20 0.38

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
SCHEMBL23988295 1.00 RUNX1 (0.51) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL6881053 1.00 RUNX1 (0.51) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL9837954 0.93 ATP4A (0.44) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL6881153 0.93 ATP4A (0.44) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL6871825 0.92 ATP4A (0.56) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL23988517 0.91 ATP4A (0.45) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL23988513 0.91 ATP4A (0.45) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL9527017 0.91 ATP4A (0.45) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL23988602 0.90 ATP4A (0.41) RUNX1ATP4AATP4BCYP2C9KDM4E
SCHEMBL9835200 0.90 ATP4A (0.41) RUNX1ATP4AATP4BCYP2C9KDM4E

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 RUNX1 531/4885ATP4A 4581/4885ATP4B 4629/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 RUNX1 531/4885ATP4A 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.