SCHEMBL995826

SCHEMBL995826

Cc1nc(-c2ccc(C(F)(F)F)cc2N)sc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
MPL P40238 2/20 0.41
ILK Q13418 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
FEN1 P39748 1/20 0.39
PKM P14618 1/20 0.37
BACE1 P56817 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
RAB9A P51151 2/20 0.36
MBOAT4 Q96T53 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL996760 0.78 GAA (0.45) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL997139 0.77 MPL (0.49) EPHX2SCN4AMPLILKALDH1A1
SCHEMBL996916 0.76 FEN1 (0.44) EPHX2SCN4AMPLILKALDH1A1
SCHEMBL8919336 0.76 NPC1 (0.57) ALDH1A1SMN1; SMN2NPC1GAAKDM4E
SCHEMBL22636964 0.75 FEN1 (0.43) EPHX2SCN4AMPLILKALDH1A1
Hydrochloric Acid SCHEMBL5017253 0.74 NPC1 (0.56) ALDH1A1SMN1; SMN2NPC1GAAKDM4E
SCHEMBL6138448 0.74 ALDH1A1 (0.53) EPHX2SCN4AMPLALDH1A1GAA
SCHEMBL2094451 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6226821 0.72 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1GAAKDM4E
SCHEMBL998811 0.72 MPL (0.57) EPHX2SCN4AMPLSMN1; SMN2FEN1

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 EPHX2 197/4885SCN4A 3500/4885MPL 2369/4885

“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.