SCHEMBL7983165

SCHEMBL7983165

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BACE1 P56817 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL7983820 0.90 F2 (0.53) F2MEN1KMT2ABACE1
SCHEMBL7980773 0.86 F2 (0.55) F2MEN1KMT2ABACE1
SCHEMBL7984105 0.81 BACE1 (0.62) F2MEN1KMT2ABACE1
SCHEMBL7970488 0.79 POLB (0.54) MEN1KMT2A
SCHEMBL1823542 0.78 ITGB3 (0.42) MEN1KMT2A
SCHEMBL1823543 0.78 ITGB3 (0.42) MEN1KMT2A
SCHEMBL7983901 0.78 F2 (0.55) F2BACE1
SCHEMBL7981499 0.76 TDP1 (0.56) MEN1KMT2A
SCHEMBL8389137 0.75 MMP2 (0.69) F2PRSS1
SCHEMBL8647491 0.75 MMP2 (0.69) F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US claimed
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 EP disclosed