SCHEMBL4768362

SCHEMBL4768362

CC1CCC(N(C(=O)C[C@@H](C)CCNC(=O)O)S(=O)(=O)c2ccccc2)C(O)CN1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL4768354 0.76 CTSB (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL6213890 0.76 CTSB (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4765372 0.70 GLA (0.37) SMN1; SMN2
SCHEMBL6211933 0.70 GLA (0.37) SMN1; SMN2
SCHEMBL4315427 0.70 MAPK1 (0.40) ALDH1A1HTTNPSR1MMP13
SCHEMBL6256808 0.68
SCHEMBL4763259 0.67 CTSD (0.44) MEN1ALDH1A1KMT2AHTT
SCHEMBL6590713 0.61 PSEN1 (0.31) ALDH1A1
SCHEMBL6212033 0.58 EPHX1 (0.39) MEN1KMT2A
SCHEMBL28770859 0.57 MAPT (0.45) MEN1ALDH1A1KMT2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed