SCHEMBL4909430

SCHEMBL4909430

CC(CCBr)[C@](N)(C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4911367 0.85 DGAT1 (0.32) DGAT1MEN1GAAKMT2A
SCHEMBL2550935 0.81 CTSK (0.36) DGAT1MEN1GAAKMT2A
SCHEMBL28195825 0.79 DGAT1 (0.40) DGAT1MEN1GAAKMT2A
SCHEMBL9116850 0.79 DGAT1 (0.40) DGAT1MEN1GAAKMT2A
SCHEMBL4939145 0.79 DGAT1 (0.40) DGAT1MEN1GAAKMT2A
SCHEMBL28199018 0.78 DGAT1 (0.36) DGAT1
SCHEMBL4907419 0.78 DGAT1 (0.36) DGAT1
SCHEMBL4903591 0.76 ARG1 (0.35) MEN1GAAKMT2A
SCHEMBL25436173 0.75 DGAT1 (0.38) DGAT1
SCHEMBL30185755 0.75 DGAT1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPE PHA.R.MA S.P.A. (IT) 2008-02-21 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-20080045522-A1 OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS C5AR2, C3AR1, C5AR1 DGAT1 360/4885MEN1 4814/4885GAA 4531/4885

“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.