SCHEMBL578068

SCHEMBL578068

COc1ccc(COc2cc(-c3cccs3)nc(-c3nc(C(F)(F)F)cs3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
THRB P10828 1/20 0.42
ADORA2A P29274 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
LMNA P02545 3/20 0.39
SDHB P21912 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL578045 0.89 PDE2A (0.37) TP53SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL577666 0.88 PTGDR (0.40) TP53SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL578406 0.87 PDE2A (0.37) TP53SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL578050 0.86 MAPT (0.38) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL578098 0.86 MAPT (0.37) TP53SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL578370 0.86 ADORA2A (0.43) TP53ADORA2ASMN1; SMN2MAPTKDM4E
SCHEMBL13148387 0.85 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL578162 0.85 PDE2A (0.40) TP53SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11926434 0.84 PDE2A (0.35) TP53SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL577770 0.84 PDE2A (0.39) TP53SMN1; SMN2MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
WO-2012109398-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 WO 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
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-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
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 (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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TP53 2238/4885MYC 3696/4885MAX 1346/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TP53 2238/4885MYC 3696/4885MAX 1346/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 TP53 2238/4885MYC 3696/4885MAX 1346/4885

“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.