SCHEMBL789387

SCHEMBL789387

CC(=O)c1cc(Br)ccc1OCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 1.00
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTGDR Q13258 1/20 0.52
PKM P14618 1/20 0.50
AKR1B1 P15121 1/20 0.47

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
SCHEMBL3044855 0.88 PTGDR2 (0.79) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL1530794 0.87 PTGDR2 (0.77) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL22688831 0.86 PTGDR2 (0.75) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL32678019 0.84 PTGDR2 (0.73) PTGDR2POLBTSHR
SCHEMBL32678021 0.84 PTGDR2 (0.73) PTGDR2POLBTSHR
SCHEMBL11277902 0.84 PTGDR2 (0.73) PTGDR2POLBTSHR
SCHEMBL13064184 0.83 PTGDR2 (0.71) PTGDR2POLBTSHRL3MBTL1
SCHEMBL29951797 0.82 PTGDR2 (0.69) PTGDR2TSHRTDP1L3MBTL1
SCHEMBL1997089 0.82 PTGDR2 (0.69) PTGDR2POLBTSHRL3MBTL1
SCHEMBL4480934 0.81 PTGDR2 (0.68) PTGDR2TSHRTDP1L3MBTL1

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
EP-2681207-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2016-12-28 EP disclosed
US-9340529-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2016-05-17 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8912188-B2 Substituted quinoxaline carboxylic acids for the inhibition of PASK BIOENERGENIX, LLC (US) 2014-12-16 US disclosed
US-8802864-B2 Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC (US) 2014-08-12 US disclosed
US-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
EP-2681207-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK Bioenergenix (US) 2014-01-08 EP disclosed
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP 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-20140100213-A1 TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGDR2 1840/4885POLB 2968/4885TSHR 2404/4885
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGDR2 1813/4885POLB 2804/4885TSHR 2274/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A PTGDR2 156/4885POLB 3425/4885TSHR 181/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A PTGDR2 571/4885POLB 3869/4885TSHR 113/4885

“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.