SCHEMBL2838403

SCHEMBL2838403

CC(C)c1csc(-c2nc(Cl)c3ccccc3n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.44
TGFBR1 P36897 1/20 0.40
CCR4 P51679 1/20 0.40
ATM Q13315 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACP1 P24666 2/20 0.35
TP53 P04637 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NR1I3 Q14994 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2861979 0.84 CCR4 (0.41) TGFBR1CCR4MAPTACP1HTT
SCHEMBL2839773 0.80 ACHE (0.38) ATMMAPTNPC1RAB9ANPSR1
SCHEMBL2116011 0.79 IDH1 (0.33) CCR4SHMT1SHMT2
SCHEMBL62767 0.72 SREBF2 (0.50) CCR4MAPTL3MBTL1TP53HTT
SCHEMBL13996109 0.71 ALDH1A1 (0.54) CCR4MAPTL3MBTL1HTTNPC1
SCHEMBL1496428 0.71 APLNR (0.35) MAPTNPC1RAB9ATDP1
SCHEMBL3724988 0.70 CCR4 (0.36) CCR4MAPTL3MBTL1RAB9ACYP1A2
SCHEMBL3949183 0.69 MAOA (0.47) METAP1ATMMAPTL3MBTL1TP53
SCHEMBL15640643 0.68 TYK2 (0.41) CCR4MAPTL3MBTL1CYP1A2CYP2D6
SCHEMBL16404333 0.68 METAP1 (0.61) METAP1ATMMAPTMAOAMAOB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101233131-B Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD 2011-06-08 CN disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7700552-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2010-04-20 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
US-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 US disclosed
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 EP disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
CN-101273038-A Macrocylic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2008-09-24 CN disclosed
CN-101233131-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-30 CN disclosed
EP-1910347-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2008-04-16 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881001-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 EP disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO disclosed
WO-2007017144-A2 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS MEDIVIR AB (SE) 2007-02-15 WO disclosed
WO-2007014927-A2 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 METAP1 575/4885TGFBR1 1749/4885CCR4 214/4885

“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.