SCHEMBL577683

SCHEMBL577683

COc1ccc(-c2cc(O)nc(-c3nc(C(F)(F)F)cs3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
IDH1 O75874 5/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
CYP19A1 P11511 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TP53 P04637 3/20 0.32
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR4 O95977 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
SCHEMBL13147675 0.88 IDH1 (0.35) PDGFRBPDGFRAIDH1KMT2AMEN1
SCHEMBL578040 0.85 ALDH1A1 (0.38) IDH1KMT2AMEN1CYP19A1SMN1; SMN2
SCHEMBL578442 0.83 IDH1 (0.37) IDH1KMT2AMEN1CYP19A1SMN1; SMN2
SCHEMBL11905052 0.80 IDH1 (0.42) IDH1KMT2AMEN1CYP19A1ALDH1A1
SCHEMBL577488 0.80 MEN1 (0.33) PDGFRBPDGFRAIDH1KMT2AMEN1
SCHEMBL11926438 0.80 IDH1 (0.36) IDH1KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL577917 0.80 IDH1 (0.37) IDH1KMT2AMEN1CYP19A1SMN1; SMN2
SCHEMBL577156 0.80 HSD17B1 (0.42) KMT2AMEN1CYP19A1SMN1; SMN2ALDH1A1
SCHEMBL578406 0.78 PDE2A (0.37) KMT2AMEN1CYP19A1SMN1; SMN2TP53
SCHEMBL6844975 0.78 GAA (0.40) IDH1KMT2AMEN1CYP19A1ALDH1A1

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 11 patents. 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
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP 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-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 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
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-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDGFRB 1104/4885PDGFRA 2082/4885IDH1 1513/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDGFRB 1104/4885PDGFRA 2082/4885IDH1 1513/4885

“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.