SCHEMBL23167620

SCHEMBL23167620

CC(C)(C)OC(=O)Nc1c[nH]c2cc(F)c(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.42
▸ IDO1 P14902 3/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ STING1 Q86WV6 2/20 0.35
▸ KCNQ4 P56696 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL23168153 0.90 CYP17A1 (0.39) AAK1IDO1CYP17A1RXFP1MAPT
SCHEMBL31324602 0.90 CYP17A1 (0.39) AAK1IDO1CYP17A1RXFP1MAPT
SCHEMBL23168126 0.86 AAK1 (0.36) AAK1RXFP1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL23167212 0.82 CYP17A1 (0.35) AAK1CYP17A1RXFP1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL30392135 0.82 CYP17A1 (0.35) AAK1CYP17A1RXFP1MAPTSMN1; SMN2
SCHEMBL25025548 0.81 NPC1 (0.40) AAK1CYP17A1RXFP1MAPTSMN1; SMN2
SCHEMBL30191285 0.80 NR4A2 (0.52) AAK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30218688 0.80 GABRA1 (0.44) RXFP1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23207775 0.80 NR4A2 (0.52) AAK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23168132 0.79 NQO2 (0.34) CYP17A1RXFP1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 — — US disclosed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 — — US disclosed
WO-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 — — WO disclosed
US-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 — — US disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 — — WO disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 — — WO 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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AAK1 1490/4885IDO1 1263/4885CYP17A1 3050/4885
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AAK1 1490/4885IDO1 1263/4885CYP17A1 3050/4885

“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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