SCHEMBL1993571

SCHEMBL1993571

O=S(=O)(c1ccccc1)c1ccc(Br)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR2C P28335 3/20 0.53
KCNH2 Q12809 2/20 0.53
HTR6 P50406 3/20 0.52
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA9 Q16790 1/20 0.43
HTR2B P41595 1/20 0.42
VCAM1 P19320 1/20 0.41
PNMT P11086 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 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
SCHEMBL2903363 0.87 HTR2A (0.46) HTR2AHTR2CKCNH2HTR6MAPT
SCHEMBL1990842 0.83 HSD11B1 (0.49) HTR6ALDH1A1VCAM1KMT2AHSD11B1
SCHEMBL7206333 0.82 HTR6 (0.58) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL586329 0.82 HTR6 (0.58) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL30973847 0.78 HTR6 (0.52) HTR2CHTR6ALDH1A1POLBMAPT
SCHEMBL14932732 0.78 ALDH1A1 (0.64) HTR2AHTR2CKCNH2HTR6ALDH1A1
SCHEMBL2908734 0.78 HTR6 (0.52) HTR2CHTR6ALDH1A1POLBMAPT
SCHEMBL3164647 0.77 HTR2A (0.75) HTR2AHTR2CKCNH2HTR6
SCHEMBL30291222 0.76 CA2 (0.64) CA12CA1CA2CA7CA9
SCHEMBL1512006 0.76 CA2 (0.64) CA12CA1CA2CA7CA9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326160-B Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB 2013-04-17 CN disclosed
US-8415394-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (GB) 2013-04-09 US disclosed
US-8349897-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2013-01-08 US disclosed
US-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2011-06-23 US disclosed
EP-1937633-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-08-04 EP disclosed
CN-101417964-A Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2009-04-29 CN disclosed
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2009-02-05 US disclosed
CN-101326160-A Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2008-12-17 CN disclosed
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 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 (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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB HTR2A 4569/4885HTR2C 3932/4885KCNH2 1310/4885
US-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD HTR2A 352/4885HTR2C 338/4885KCNH2 3170/4885
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD HTR2A 352/4885HTR2C 338/4885KCNH2 3170/4885
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD HTR2A 352/4885HTR2C 338/4885KCNH2 3170/4885

“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.