SCHEMBL996617

SCHEMBL996617

CC(C)(C)c1csc(-c2ccc(C(F)(F)F)cc2N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.47
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 1/20 0.38
SCN4A P35499 1/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
BACE1 P56817 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CFTR P13569 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 1/20 0.35
ILK Q13418 2/20 0.35
CCR4 P51679 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 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
SCHEMBL997139 0.82 MPL (0.49) MPLNPSR1EPHX2SCN4AFEN1
SCHEMBL996995 0.79 EIF4E (0.44) NPSR1ALDH1A1KDM4EPKMHPGD
SCHEMBL12203544 0.78 NTMT1 (0.46) NPSR1KDM4EL3MBTL1RAB9AMEN1
SCHEMBL996974 0.78 MPL (0.46) MPLNPSR1EPHX2SCN4AFEN1
SCHEMBL996913 0.78 MPL (0.49) MPLNPSR1EPHX2SCN4AFEN1
SCHEMBL6229174 0.74 CCR4 (0.46) NPSR1ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL5508859 0.74 CCR4 (0.39) NPSR1ALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL998811 0.73 MPL (0.57) MPLEPHX2SCN4AFEN1MEN1
SCHEMBL6138448 0.73 ALDH1A1 (0.53) MPLNPSR1EPHX2SCN4AFEN1
SCHEMBL996775 0.73 SYK (0.43) MPLFEN1ALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (1 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 MPL 2369/4885NPSR1 854/4885EPHX2 197/4885

“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.