SCHEMBL4423591

SCHEMBL4423591

CCOP(=O)(OCC)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ACHE P22303 1/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
AOX1 Q06278 1/20 0.38

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
SCHEMBL18252689 0.84 GAA (0.42) NPSR1MEN1KMT2AGAACA12
SCHEMBL17289001 0.83 GAA (0.44) MEN1KMT2AGAACA12CA1
SCHEMBL29449955 0.83 AOX1 (0.43) NPSR1MEN1KMT2AGAACA12
SCHEMBL15871416 0.80 NPSR1 (0.48) NPSR1MEN1KMT2ACA12CA1
SCHEMBL12230058 0.79 ALDH1A1 (0.40) GAACA12CA1CA2CA9
SCHEMBL13636979 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ACA12CA1
SCHEMBL2364152 0.79 MEN1 (0.54) NPSR1MEN1KMT2AGAACA12
SCHEMBL916035 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ACA12CA1
SCHEMBL7187605 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ACA12CA1
SCHEMBL2034316 0.79 NPSR1 (0.47) NPSR1MEN1KMT2ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
EP-2256124-A1 Phospho-indoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2010-12-01 EP disclosed
EP-1961757-B1 Phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
EP-1799696-B1 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-11-12 EP disclosed
EP-1961757-A1 Phosphoindoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2008-08-27 EP disclosed
CN-101212978-A Organometal benzenephosphonate coupling agents MICROBIA INC (US) 2008-07-02 CN disclosed
EP-1885378-A2 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
WO-2006122117-A2 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS MICROBIA, INC. (US) 2006-11-16 WO disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 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 (3 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-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT NPSR1 2490/4885MEN1 3483/4885KMT2A 1767/4885
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C NPSR1 1758/4885MEN1 4605/4885KMT2A 4486/4885
US-20090292135-A1 ORGANOMETAL BENZENEPHOSPHONATE COUPLING AGENTS ZNF207, TST, BOLA2; BOLA2B NPSR1 2790/4885MEN1 1650/4885KMT2A 2095/4885

“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.