SCHEMBL2102097

SCHEMBL2102097

COc1ccc(Cl)cc1-c1ccc(C(=O)NC(C)(C)C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
ERN1 O75460 1/20 0.44
GAA P10253 2/20 0.44
KCNMA1 Q12791 3/20 0.43
ABL1 P00519 1/20 0.42
ANO1 Q5XXA6 2/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
CTSA P10619 1/20 0.41

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
SCHEMBL2099759 0.85 TSHR (0.53) ALDH1A1LMNAGAAMAPTHTT
SCHEMBL2102110 0.84 ANO1 (0.49) MEN1KMT2ALMNAKCNMA1ANO1
SCHEMBL4597516 0.80 FLT1 (0.55) MEN1KMT2AKCNMA1ANO1
SCHEMBL3341362 0.77 KMT2A (0.52) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL4658372 0.74 POLB (0.50) ALDH1A1MEN1KMT2AKCNMA1ANO1
SCHEMBL2405475 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNAERN1
SCHEMBL20056636 0.74 ESR2 (0.53) ALDH1A1MEN1KMT2AERN1KCNMA1
SCHEMBL2100014 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL5944267 0.73 HDAC8 (0.61) ALDH1A1MEN1KMT2ALMNA
SCHEMBL3340565 0.73 TSHR (0.56) ALDH1A1LMNAERN1HPGDCTSA

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-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US disclosed
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 ALDH1A1 42/4885MEN1 4025/4885KMT2A 1697/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 ALDH1A1 42/4885MEN1 4025/4885KMT2A 1697/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 ALDH1A1 42/4885MEN1 4025/4885KMT2A 1697/4885

“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.