SCHEMBL577635

SCHEMBL577635

CC(C)(C)c1ccc(-c2[c]nc3ccccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KIF11 P52732 2/20 0.39
ADORA2A P29274 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL578186 0.80 MAPT (0.42) AKT1AKT2SMN1; SMN2ADORA2ARAB9A
SCHEMBL577952 0.77 MAPK14 (0.47) TNKSTNKS2SMN1; SMN2ADORA2ARAB9A
SCHEMBL577848 0.77 KDM4E (0.56) TNKSTNKS2TP53SMN1; SMN2ADORA2A
SCHEMBL577716 0.75 MAPK10 (0.44) SMN1; SMN2RAB9ANPC1KMT2AKDM4E
SCHEMBL27635956 0.74 MEN1 (0.44) HDAC6TNFNOD1TNKSTNKS2
SCHEMBL577836 0.73 NPC1 (0.56) TP53SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL21998534 0.72 AKT1 (0.74) HDAC6TNFNOD1TNKSTNKS2
SCHEMBL2302808 0.71 MAPT (0.40) HDAC6TNFNOD1AKT1AKT2
SCHEMBL12156506 0.70 AKT1 (0.62) HDAC6TNFNOD1TNKSTNKS2
SCHEMBL15577812 0.70 ATM (0.42) RAB9ANPC1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US 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 (2 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HDAC6 1412/4885TNF 3782/4885NOD1 1369/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HDAC6 1412/4885TNF 3782/4885NOD1 1369/4885

“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.