SCHEMBL3372192

SCHEMBL3372192

CCOC(=O)c1c(SCC)nc2c(Cl)cccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.45
PTGES O14684 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CFTR P13569 2/20 0.42
PDE7A Q13946 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL3372370 0.85 DHODH (0.46) MAPTALDH1A1PDE7A
SCHEMBL8568089 0.83 CA12 (0.48) ALOX5PTGESRXFP1MAPTCA12
SCHEMBL8139125 0.77 MAPT (0.38) ALOX5MAPTCA12CA1CA2
SCHEMBL28592370 0.75 CYP1A2 (0.49) ALOX5PTGESRXFP1MAPTCA12
SCHEMBL30680390 0.75 ALDH1A1 (0.39) ALOX5MAPTCA2ALDH1A1CFTR
SCHEMBL30680350 0.75 ALDH1A1 (0.39) ALOX5MAPTCA2ALDH1A1CFTR
SCHEMBL28930406 0.75 MAPT (0.53) RXFP1MAPTALDH1A1KDM4E
SCHEMBL4152010 0.72 KMT2A (0.56) MAPTALDH1A1KDM4E
SCHEMBL4088923 0.71 CFTR (0.41) MAPTCA12CA1CA2CA7
SCHEMBL8493097 0.70 CA12 (0.66) RXFP1MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-1771453-B1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed
EP-1771454-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2011-06-15 EP disclosed
EP-1730167-B1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2011-01-12 EP disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 US disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006007708-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER ENGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 WO disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 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 (2 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-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC ALOX5 4271/4885PTGES 4080/4885RXFP1 556/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALOX5 3436/4885PTGES 2784/4885RXFP1 4804/4885

“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.