SCHEMBL996775

SCHEMBL996775

Nc1cc(C(F)(F)F)ccc1-c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.43
MPL P40238 2/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
FEN1 P39748 1/20 0.42
FBP1 P09467 1/20 0.41
SRC P12931 3/20 0.41
ZAP70 P43403 3/20 0.41
IDH2 P48735 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SCN9A Q15858 3/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CFTR P13569 1/20 0.38
F2RL1 P55085 1/20 0.38

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
SCHEMBL18586675 0.88 SYK (0.43) SYKMPLNOS3NOS2FBP1
SCHEMBL18670146 0.81 NPSR1 (0.49) SYKFBP1SRCZAP70IDH2
SCHEMBL996619 0.79 F2RL1 (0.49) SYKFBP1ALDH1A1PKMHSP90AA1
SCHEMBL6871106 0.78 HSP90AA1 (0.43) SYKFBP1SRCZAP70ALDH1A1
SCHEMBL18586122 0.78 SYK (0.43) SYKMPLNOS3NOS2FBP1
SCHEMBL25027338 0.78 SYK (0.44) SYKFBP1SRCZAP70IDH2
SCHEMBL996573 0.77 SRC (0.43) SYKNOS3NOS2FBP1SRC
SCHEMBL995498 0.76 ALDH1A1 (0.46) IDH2SCN9AALDH1A1KDM4EHPGD
SCHEMBL11440352 0.76 ADORA2A (0.41) FBP1ALDH1A1HSP90AA1HSD17B10F2RL1
SCHEMBL6309721 0.76 GCK (0.47) FBP1ALDH1A1HSP90AA1KDM4EHPGD

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 13 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
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 SYK 3694/4885MPL 2369/4885NOS3 140/4885

“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.