SCHEMBL29988952

SCHEMBL29988952

CC(C)(C)OC(=O)Nc1cnc(C2CC(F)(F)C2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
MAPKAPK2 P49137 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
DGAT1 O75907 2/20 0.36
TSHR P16473 1/20 0.36
FSHR P23945 1/20 0.36
IDH1 O75874 1/20 0.35
ATR Q13535 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL23622903 1.00 RORC (0.40) RORCMAPKAPK2SIRT2SIRT1DGAT1
SCHEMBL22803712 0.87 RORC (0.43) RORCMAPKAPK2DGAT1TSHRFSHR
SCHEMBL24215689 0.87 RORC (0.41) RORCMAPKAPK2SIRT2SIRT1DGAT1
SCHEMBL30412966 0.82 SYK (0.39) RORCMAPKAPK2DGAT1TSHRFSHR
SCHEMBL23612039 0.82 RORC (0.35) RORCGSK3B
SCHEMBL30089393 0.81 SIRT2 (0.36) RORCMAPKAPK2SIRT2SIRT1DGAT1
SCHEMBL23611992 0.78 NAMPT (0.43) RORCMAPKAPK2SIRT2SIRT1DGAT1
SCHEMBL30267377 0.78 NAMPT (0.43) RORCMAPKAPK2SIRT2SIRT1DGAT1
SCHEMBL1010435 0.76 ATR (0.46) RORCMAPKAPK2ATR
SCHEMBL28935636 0.75 SCN9A (0.38) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-13 US disclosed
EP-4085051-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
CN-115279770-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-01 CN 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RORC 590/4885MAPKAPK2 1254/4885SIRT2 4000/4885
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 RORC 590/4885MAPKAPK2 1254/4885SIRT2 4000/4885

“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.