SCHEMBL25969374

SCHEMBL25969374

CC(C)(C)OC(=O)c1n[nH]c2nc(OCC(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
HPGDS O60760 1/20 0.36
DGAT1 O75907 5/20 0.35
NTRK1 P04629 1/20 0.34
KDM4E B2RXH2 2/20 0.33
STAT3 P40763 1/20 0.33
HIF1A Q16665 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 2/20 0.32
EPHX2 P34913 1/20 0.32
POLB P06746 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 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
SCHEMBL30526306 1.00 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1HPGDSDGAT1
SCHEMBL25343209 0.84 L3MBTL1 (0.48) L3MBTL1HPGDSDGAT1NTRK1MAPT
SCHEMBL25970163 0.83 LMNA (0.42) ALDH1A1LMNAL3MBTL1NTRK1KDM4E
SCHEMBL26979977 0.79 L3MBTL1 (0.38) ALDH1A1LMNAL3MBTL1HPGDSDGAT1
SCHEMBL30526295 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL492450 0.79 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ESTAT3HIF1A
SCHEMBL492273 0.72 ALDH1A1 (0.56) ALDH1A1LMNAHPGDSKDM4ESTAT3
SCHEMBL30526303 0.71 PTGER4 (0.40) ALDH1A1LMNAMAPK1
SCHEMBL25343179 0.71 PTGER4 (0.40) ALDH1A1LMNAMAPK1
SCHEMBL25967130 0.71 NTRK1 (0.36) L3MBTL1NTRK1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2022015938-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 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 (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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4633/4885LMNA 2277/4885L3MBTL1 2330/4885

“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.