SCHEMBL312942

SCHEMBL312942

COc1ccc2c(O)cc(-c3nc(C(F)(F)F)cs3)nc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 6/20 0.35
RECQL P46063 2/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34

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
SCHEMBL7993028 0.89 KDM4E (0.38) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL313131 0.88 PDE4B (0.36) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL15216086 0.87 PDE4B (0.35) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL10118822 0.86 DHODH (0.38) KMT2ALMNACYP1A2CYP3A4CYP2C8
SCHEMBL3625504 0.85 MAPT (0.40) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL577800 0.82 PDE4B (0.36) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL15216114 0.82 GAA (0.38) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL313693 0.81 CTSS (0.38) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL12070947 0.81 KDM4E (0.41) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL10250159 0.81 PTGES (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417134-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2017-05-17 EP disclosed
EP-2417134-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2017-05-17 EP 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
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9115095-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115095-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2015-08-25 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-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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
WO-2010090976-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885GAA 368/4885MAPT 3005/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1790/4885GAA 368/4885MAPT 3005/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885GAA 388/4885MAPT 3077/4885

“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.