SCHEMBL4907414

SCHEMBL4907414

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
AKT1 P31749 1/20 0.38
CTSK P43235 9/20 0.37
CTSS P25774 8/20 0.37
TDP1 Q9NUW8 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
CA1 P00915 3/20 0.36
CA7 P43166 3/20 0.36
CA2 P00918 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CA12 O43570 3/20 0.34
CA14 Q9ULX7 3/20 0.34
APLNR P35414 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
SCHEMBL8627281 0.85 NAALAD2 (0.42) MEN1GAAKMT2AAKT1CTSK
SCHEMBL1979477 0.82 CTSK (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL2129742 0.82 TDP1 (0.42) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1486204 0.82 TDP1 (0.42) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1979479 0.82 CTSK (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL2837383 0.82 CTSK (0.45) MEN1GAAKMT2ACTSKCTSS
SCHEMBL201901 0.82 TDP1 (0.42) MEN1GAAKMT2ACTSKCTSS
SCHEMBL4909422 0.82 NAALAD2 (0.40) MEN1GAAKMT2AAKT1CTSK
SCHEMBL2279581 0.81 MEN1 (0.39) MEN1GAAKMT2ACTSKCTSS
SCHEMBL20854164 0.81 MEN1 (0.39) MEN1GAAKMT2ACTSKCTSS

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 MEN1 4814/4885GAA 4531/4885KMT2A 4135/4885

“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.