SCHEMBL353039

SCHEMBL353039

CC(=O)c1c[nH]c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.44
PBRM1 Q86U86 1/20 0.44
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NOTUM Q6P988 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HASPIN Q8TF76 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
MAP3K7 O43318 1/20 0.32

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
SCHEMBL547358 0.81 NOTUM (0.50) HSD17B10KDM4ENOTUMGAAMEN1
SCHEMBL7689425 0.77 BRPF1 (0.42) BRPF1PBRM1HSD17B10KDM4ENOTUM
SCHEMBL29951594 0.74 BRPF1 (0.40) BRPF1PBRM1HSD17B10KDM4ESMN1; SMN2
SCHEMBL6082830 0.73 TSHR (0.52) KDM4ESMN1; SMN2CYP1A2CYP3A4NPC1
SCHEMBL15197090 0.72 PBRM1 (0.45) BRPF1PBRM1KDM4ENPC1MEN1
SCHEMBL11201376 0.71 NPSR1 (0.43) BRPF1
SCHEMBL15491101 0.71 CSNK2A1 (0.50) HSD17B10KDM4ENOTUMCYP1A2GAA
SCHEMBL7683073 0.70 SMN1; SMN2 (0.51) BRPF1PBRM1HSD17B10KDM4ESMN1; SMN2
SCHEMBL8198680 0.69 GRM1 (0.53) HSD17B10KDM4ECYP1A2NPC1POLB
SCHEMBL15491102 0.67 POLB (0.39) BRPF1NOTUMPOLBGAAALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
EP-2468744-A2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-27 EP disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
EP-1441720-B1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMA (US) 2012-01-04 EP disclosed
EP-2402009-A1 Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-04 EP disclosed
EP-2368900-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-28 EP disclosed
EP-2364970-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
EP-2361925-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-31 EP disclosed
EP-2357170-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-17 EP disclosed
CN-1795188-A Inhibitors of serine proteases, particularly HCV NS 3-NS 4A protease VERTEX PHARMA (US) 2006-06-28 CN disclosed
EP-1636208-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
EP-1613620-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-01-11 EP disclosed
WO-2005077969-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-25 WO disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 WO disclosed
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS, INCORPORATED 2005-04-28 US disclosed
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-04-14 US disclosed
WO-2004092161-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-28 WO disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 WO disclosed
WO-2003035060-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 BRPF1 4031/4885PBRM1 4096/4885HSD17B10 1534/4885
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 BRPF1 4063/4885PBRM1 4069/4885HSD17B10 1465/4885
US-20050080017-A1 Inhibitors of serine proteases, particularly HVC NS3-NS4A protease HPN, PRSS1, SERPINB1 BRPF1 4105/4885PBRM1 3995/4885HSD17B10 636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.