SCHEMBL2903363

SCHEMBL2903363

O=S(=O)(c1ccc(F)cc1)c1ccc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
KCNH2 Q12809 5/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 1/20 0.46
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
MAPT P10636 1/20 0.43
VCAM1 P19320 1/20 0.42
HSD11B1 P28845 1/20 0.41
EPAS1 Q99814 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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
SCHEMBL1993571 0.87 HTR2A (0.53) HTR2AKCNH2HTR2CHTR2BMAPT
SCHEMBL4189942 0.82 HTR2C (0.50) HTR2AKCNH2HTR2CHTR2BPTGS2
SCHEMBL2910454 0.81 HTR2C (0.44) HTR2AKCNH2HTR2CHTR2BPTGS2
SCHEMBL79787 0.78 HSD11B1 (0.55) HTR2AKCNH2HTR2CHTR2BHSD11B1
SCHEMBL4328574 0.78 HSD11B1 (0.55) HTR2AKCNH2HTR2CHTR2BHSD11B1
SCHEMBL30072318 0.78 HSD11B1 (0.55) HTR2AKCNH2HTR2CHTR2BHSD11B1
SCHEMBL2121770 0.78 HSD11B1 (0.55) HTR2AKCNH2HTR2CHTR2BHSD11B1
SCHEMBL1512006 0.78 CA2 (0.64) PTGS2PTGS1CA1CA2CA9
SCHEMBL30291220 0.78 CA2 (0.64) PTGS2PTGS1CA1CA2CA9
SCHEMBL30291222 0.78 CA2 (0.64) PTGS2PTGS1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1937633-B8 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-12-22 EP disclosed
EP-1937633-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-08-04 EP disclosed
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2009-02-05 US disclosed
EP-1937633-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039741-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-04-12 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 (2 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-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD HTR2A 352/4885KCNH2 3170/4885HTR2C 338/4885
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD HTR2A 352/4885KCNH2 3170/4885HTR2C 338/4885

“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.