SCHEMBL4761879

SCHEMBL4761879

COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N(C3CCCNCC3=O)S(=O)(=O)c3ccc(Cl)cc3)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.37
MMP14 P50281 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4763065 1.00 MMP2 (0.37) MMP2MMP14KDM4EALDH1A1RAB9A
SCHEMBL6590286 0.94 KDM4E (0.36) MMP2MMP14KDM4EALDH1A1RAB9A
SCHEMBL6590290 0.94 KDM4E (0.36) MMP2MMP14KDM4EALDH1A1RAB9A
SCHEMBL4767072 0.91 TAS1R3 (0.38) MMP2MMP14KDM4EALDH1A1RAB9A
SCHEMBL4767079 0.91 TAS1R3 (0.38) MMP2MMP14KDM4EALDH1A1RAB9A
SCHEMBL6590283 0.90 TAS1R3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6590279 0.90 TAS1R3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4765077 0.89 ALDH1A1 (0.37) MMP2MMP14KDM4EALDH1A1RAB9A
SCHEMBL6591709 0.88 CTSK (0.46) MMP2RAB9ATAS1R3TAS1R1LMNA
SCHEMBL6591711 0.88 CTSK (0.46) MMP2RAB9ATAS1R3TAS1R1LMNA

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-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed