SCHEMBL4061402

SCHEMBL4061402

CC(C)(C)CCOS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40

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
SCHEMBL23163065 0.86 CA2 (0.40) CA2CA1
SCHEMBL780399 0.81 CA2 (0.42) CA2CA1
SCHEMBL1032931 0.80 CA2 (0.47) CA2CA1
SCHEMBL116723 0.78 CA2 (0.43) CA2CA1
SCHEMBL15665290 0.77 CA2 (0.40) CA2CA1
SCHEMBL20553030 0.77 CA1 (0.34) CA2CA1
SCHEMBL777006 0.76 CA2 (0.48) CA2CA1
SCHEMBL3242894 0.76 CA2 (0.36) CA2CA1
SCHEMBL17643054 0.76 CA2 (0.39) CA2CA1
SCHEMBL4224009 0.75 KDM4E (0.32)

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
US-20110110890-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2011-05-12 US disclosed
US-20110110890-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2011-05-12 US disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
WO-2004039375-A1 METHODS OF USING CCR1 ANTAGONISTS AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 US disclosed
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
CN-1248968-A Heteroaryl-hexanoic acid amide derivatives, their preparation and their use as selective inhibitors of MIP-1-alpha binding to its CCRI receptor PFIZER (US) 2000-03-29 CN 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 (4 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF CA2 4358/4885CA1 4719/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 CA2 1513/4885CA1 1852/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CA2 3507/4885CA1 3095/4885
US-20110110890-A1 Novel Inhibitors of Hepatitis C Virus Replication HAVCR2, EIF2AK2, HCCS CA2 4545/4885CA1 4693/4885

“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.