SCHEMBL7970488

SCHEMBL7970488

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MMP2 P08253 6/20 0.52
MMP9 P14780 5/20 0.52
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CA2 P00918 1/20 0.49
BMP1 P13497 2/20 0.48
ADAMTS4 O75173 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KCNA5 P22460 1/20 0.46

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
SCHEMBL7981499 0.91 TDP1 (0.56) POLBMEN1KMT2AMMP2MMP9
SCHEMBL7983820 0.90 F2 (0.53) POLBMEN1KMT2AMMP2MMP9
SCHEMBL12817580 0.86 CA12 (0.49) POLBMEN1KMT2ACA12CA7
SCHEMBL12817578 0.86 CA12 (0.49) POLBMEN1KMT2ACA12CA7
SCHEMBL27568136 0.85 POLB (0.70) POLBMEN1KMT2AMMP2MMP9
SCHEMBL7984123 0.83 POLB (0.60) POLBMEN1KMT2AMMP2MMP9
SCHEMBL8057955 0.83 TDP1 (0.62) POLBMEN1KMT2AMMP2MMP9
SCHEMBL13226933 0.83 POLB (0.60) POLBMEN1KMT2AMMP2MMP9
SCHEMBL2857461 0.83 CA12 (0.55) POLBMEN1KMT2ACA12CA7
SCHEMBL2857462 0.83 CA12 (0.55) POLBMEN1KMT2ACA12CA7

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