SCHEMBL4198064

SCHEMBL4198064

COC(=O)c1sc(B2OC(C)(C)C(C)(C)O2)cc1OCCc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
P2RX4 Q99571 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL20505275 0.81 MAPT (0.36) MAPTKDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL20505090 0.80 MAPT (0.36) MAPTKDM4EHPGDTP53KMT2A
SCHEMBL4664301 0.80 MAPT (0.45) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL4772562 0.79 MAPT (0.44) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5141389 0.79 MAPT (0.44) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL20505294 0.79 KMT2A (0.45) MAPTKDM4EHPGDKMT2ANPC1
SCHEMBL1373941 0.77 PLK1 (0.41) PLK1PLK3
SCHEMBL20563103 0.76 MAPT (0.35) MAPTKDM4EHPGDTP53KMT2A
SCHEMBL23152557 0.76 USP30 (0.36) MAPTSMN1; SMN2KMT2A
SCHEMBL23152593 0.75 PDE4B (0.35) MAPTPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027116-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2009-02-25 EP disclosed
EP-1989205-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmceuticals Incorporated (US) 2008-11-12 EP disclosed
WO-2007139816-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-06 WO disclosed
WO-2007087283-A2 THIOPHENE-CARBOXAMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-02 WO disclosed