SCHEMBL29299744

SCHEMBL29299744

CC(C)(C)OC(=O)CC[C@@H](CC(N)=O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.49
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.37
CA4 P22748 1/20 0.37
MAPT P10636 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL24813373 0.87 TNF (0.49) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL30049141 0.87 TNF (0.49) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL29144184 0.87 TNF (0.49) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL29299749 0.86 TNF (0.46) TNFMEN1KMT2ALMNAMAPT
SCHEMBL29299743 0.86 TNF (0.46) TNFMEN1KMT2ALMNAMAPT
SCHEMBL2278593 0.81 TNF (0.47) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL2280493 0.81 TNF (0.47) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL7858417 0.75 TNF (0.58) TNFALDH1A1MEN1KMT2AMAPK1
SCHEMBL14876479 0.74 ATM (0.56) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL6255431 0.74 TNF (0.53) TNFALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228475-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE CELGENE CORPORATION 2024-07-11 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 (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-20240228475-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2,6-DIOXOPIPERIDIN-3-YL)-4-((2-FLUORO-4-((3-MORPHOLINOAZETIDIN-1-YL)METHYL)BENZYL)AMINO)ISOINDOLINE-1,3-DIONE AQP1, AQP3, ADH1C TNF 4281/4885ALDH1A1 749/4885MEN1 1298/4885

“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.