SCHEMBL4909422

SCHEMBL4909422

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.40
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 2/20 0.36
AKT1 P31749 1/20 0.35
CTSK P43235 7/20 0.34
CTSS P25774 6/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 3/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 2/20 0.31
APLNR P35414 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
SCHEMBL8627281 0.90 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL9067717 0.85 TDP1 (0.53) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL22905385 0.85 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL28177271 0.85 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL4911352 0.85 TDP1 (0.53) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL25379547 0.85 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL22518919 0.83 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL22518918 0.83 CTSK (0.43) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL4907414 0.82 MEN1 (0.39) NAALAD2MEN1GAAKMT2ATDP1
SCHEMBL28937251 0.82 NAALAD2 (0.39) NAALAD2MEN1GAAKMT2ATDP1

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 NAALAD2 1514/4885MEN1 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.