SCHEMBL996974

SCHEMBL996974

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.46
NPSR1 Q6W5P4 1/20 0.41
FEN1 P39748 1/20 0.40
TYK2 P29597 1/20 0.37
EPHX2 P34913 1/20 0.37
SCN4A P35499 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CFTR P13569 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ILK Q13418 1/20 0.34
MCHR1 Q99705 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
EIF4E P06730 2/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL18015906 0.82 EIF4E (0.44) MPLNPSR1TYK2EIF4E
SCHEMBL997139 0.81 MPL (0.49) MPLNPSR1FEN1EPHX2SCN4A
SCHEMBL995605 0.79 ALDH1A1 (0.45) ALDH1A1PKMKDM4EHPGDEIF4E
SCHEMBL13996108 0.79 KDM4E (0.43) NPSR1KDM4EL3MBTL1
SCHEMBL996617 0.78 MPL (0.47) MPLNPSR1FEN1EPHX2SCN4A
SCHEMBL996913 0.77 MPL (0.49) MPLNPSR1FEN1EPHX2SCN4A
SCHEMBL6224135 0.73 ALDH1A1 (0.45) MPLNPSR1TYK2ALDH1A1KDM4E
SCHEMBL995628 0.73 FEN1 (0.44) MPLFEN1EPHX2SCN4AALDH1A1
SCHEMBL998811 0.72 MPL (0.57) MPLFEN1EPHX2SCN4A
SCHEMBL6138448 0.72 ALDH1A1 (0.53) MPLNPSR1FEN1EPHX2SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101273027-B The macrocyclic hcv inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-12-02 CN disclosed
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
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN 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 854/4885FEN1 2701/4885

“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.