SCHEMBL996916

SCHEMBL996916

Cc1cnc(-c2ccc(C(F)(F)F)cc2N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 5/20 0.44
SRC P12931 1/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
EPHX2 P34913 1/20 0.39
SCN4A P35499 1/20 0.39
ILK Q13418 2/20 0.39
MPL P40238 2/20 0.38
NOS1 P29475 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
ALOX5AP P20292 4/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CFTR P13569 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL995628 0.81 FEN1 (0.44) FEN1EPHX2SCN4AILKMPL
SCHEMBL996771 0.81 FEN1 (0.41) FEN1EPHX2SCN4AILKMPL
SCHEMBL13502718 0.80 SRC (0.36) FEN1SRCZAP70SYKILK
SCHEMBL22636964 0.78 FEN1 (0.43) FEN1EPHX2SCN4AILKMPL
SCHEMBL996550 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL995826 0.76 EPHX2 (0.42) FEN1EPHX2SCN4AILKMPL
SCHEMBL3057476 0.76 NPC1 (0.43) SRCZAP70SYKALDH1A1KDM4E
SCHEMBL6138448 0.74 ALDH1A1 (0.53) FEN1EPHX2SCN4AMPLNOS3
SCHEMBL996775 0.74 SYK (0.43) FEN1SRCZAP70SYKMPL
SCHEMBL997139 0.74 MPL (0.49) FEN1EPHX2SCN4AILKMPL

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
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
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 FEN1 2701/4885SRC 900/4885ZAP70 1831/4885

“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.