SCHEMBL29988807

SCHEMBL29988807

CC(C)(C)OC(=O)Nc1cc(Cl)c(C2CCC(F)(F)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
TSHR P16473 1/20 0.39
FSHR P23945 1/20 0.39
DGAT1 O75907 2/20 0.38
CDK9 P50750 2/20 0.37
GCK P35557 1/20 0.36
WNT1 P04628 2/20 0.36
RORC P51449 1/20 0.36
TRPA1 O75762 1/20 0.35
ABL1 P00519 1/20 0.35
CNR2 P34972 2/20 0.35
LRRK2 Q5S007 1/20 0.35
GRIN2B Q13224 1/20 0.35
ATR Q13535 1/20 0.34
BCL2 P10415 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPKAPK2 P49137 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
SCHEMBL23612124 1.00 GSK3B (0.40) GSK3BDYRK1ATSHRFSHRDGAT1
SCHEMBL23612235 0.94 TSHR (0.38) GSK3BDYRK1ATSHRFSHRDGAT1
SCHEMBL30089383 0.94 TSHR (0.38) GSK3BDYRK1ATSHRFSHRDGAT1
SCHEMBL23625784 0.86 GCK (0.41) GSK3BDYRK1ATSHRFSHRDGAT1
SCHEMBL30020826 0.86 GCK (0.41) GSK3BDYRK1ATSHRFSHRDGAT1
SCHEMBL23612042 0.82 GSK3B (0.38) GSK3BDYRK1AGCKWNT1ABL1
SCHEMBL29988590 0.79 GSK3B (0.46) GSK3BDYRK1ATSHRFSHRCDK9
SCHEMBL23623101 0.79 GSK3B (0.46) GSK3BDYRK1ATSHRFSHRCDK9
SCHEMBL31627922 0.78 JAK2 (0.42) GCKABL1LRRK2
SCHEMBL18308988 0.76 GSK3B (0.47) GSK3BDYRK1ACDK9RORCTRPA1

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 GSK3B 487/4885DYRK1A 4056/4885TSHR 4487/4885
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GSK3B 487/4885DYRK1A 4056/4885TSHR 4487/4885

“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.