SCHEMBL2104084

SCHEMBL2104084

C[S+]([O-])c1ccc(-c2cc(Cl)ccc2OC(C(=O)O)C(C)(C)C)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.36
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
ABCB11 O95342 1/20 0.34
CTSA P10619 3/20 0.34
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL2102248 0.78 PTGDR2 (0.60) PTGDR2TSHR
SCHEMBL5173326 0.78 PTGDR2 (0.60) PTGDR2TSHR
SCHEMBL2112216 0.75 CTSA (0.39) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL14828506 0.75 PTGDR2 (0.43) PTGDR2ABCB11
SCHEMBL1993879 0.74 PTGDR2 (0.44) PTGDR2HTTLMNA
SCHEMBL1369990 0.70 PPARA (0.54) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL2104209 0.70 TSHR (0.46) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL5186851 0.69 ABCB11 (0.58) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL2100973 0.69 ABCB11 (0.58) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1996728 0.68 PPARG (0.42) PTGDR2PPARAPPARGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 US 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-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PTGDR2 724/4885TSHR 1185/4885HTR2A 570/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PTGDR2 724/4885TSHR 1185/4885HTR2A 570/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PTGDR2 724/4885TSHR 1185/4885HTR2A 570/4885

“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.