SCHEMBL5740988

SCHEMBL5740988

C=CC1CC1(NC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.33
ARG2 P78540 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
SCHEMBL12635916 1.00 ARG1 (0.33) ARG1ARG2
SCHEMBL8254461 1.00 ARG1 (0.33) ARG1ARG2
SCHEMBL13385283 0.85
SCHEMBL13127843 0.84
SCHEMBL12914843 0.84
SCHEMBL6760012 0.84 THRB (0.33)
SCHEMBL1101939 0.84
SCHEMBL15653894 0.82 KDM4E (0.32)
SCHEMBL31716111 0.81
SCHEMBL31717005 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 US disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 US disclosed
US-8227407-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2012-07-24 US disclosed
US-8183277-B2 Inhibitors of HCV replication of formula (I)** Image-1whereinW is a heterocycle of formula** Image-2and the remaining variables are as defined in the specification. TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-05-22 US disclosed
US-8148399-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-04-03 US disclosed
US-8012939-B2 Macrocyclic inhibitors of hepatitis C virus Tibotec Pharmaceuticals Ltd. Co (IE) 2011-09-06 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
EP-2322516-A1 Intermediates for the preparation of Macrocyclic inhibitors of hepatitis c virus Tibotec Pharmaceuticals Ltd. (IE) 2011-05-18 EP disclosed
US-20100173939-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-07-08 US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 US disclosed
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-03-05 US disclosed
US-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus MEDIVIR AB (SE) 2009-01-22 US disclosed
US-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-10-23 US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 US disclosed
WO-2008096001-A1 HCV INHIBITING MACROCYCLIC PHENYLCARBAMATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008096002-A1 HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2008059046-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-05-22 WO disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
EP-1615949-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC COMPOUNDS BY RUTHENIUM COMPLEX CATALYSED METATHESIS REACTION Boehringer Ingelheim International GmbH (DE) 2006-01-18 EP disclosed
WO-2004089974-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC COMPOUNDS BY RUTHENIUM COMPLEX CATALYSED METATHESIS REACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 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 (6 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-20090023758-A1 Macrocyclic Inhibitors of Hepatitis C Virus CTRC, NOX3, HAVCR2 ARG1 652/4885ARG2 2581/4885
US-20100173939-A1 ANTIVIRAL COMPOUNDS HAVCR2, ZC3HAV1, EIF2AK2 ARG1 1137/4885ARG2 1358/4885
US-20080262058-A1 Macrocylic Inhibitors of Hepatitis C Virus HAVCR2, HCCS, EIF2AK2 ARG1 598/4885ARG2 1183/4885
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus HAVCR2, HCCS, CYP7A1 ARG1 112/4885ARG2 446/4885
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS NR4A1, NR4A3, NR4A2 ARG1 2027/4885ARG2 2735/4885
US-20090062311-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS HCCS, NR5A1, NR0B1 ARG1 879/4885ARG2 2695/4885

“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.