SCHEMBL3345912

SCHEMBL3345912

COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCCO2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.43
MTOR P42345 4/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ABL1 P00519 1/20 0.40
NPC1 O15118 1/20 0.40
PDE4B Q07343 1/20 0.39
ERN1 O75460 1/20 0.39
SLC9A1 P19634 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39
TNIK Q9UKE5 1/20 0.39

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
SCHEMBL2100706 0.85 PTGDR2 (0.52) PIK3CAMTORHPGDPTGDR2
SCHEMBL3529322 0.84 PIK3CA (0.44) PIK3CAMTORKDM4ELMNA
SCHEMBL2100428 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDLMNAPTGDR2
SCHEMBL2102340 0.84 KMT2A (0.49) ALDH1A1KDM4EHPGDLMNAABL1
SCHEMBL3340902 0.79 HSD11B1 (0.51) ALDH1A1KDM4EHPGDLMNAPTGDR2
SCHEMBL2102075 0.78 TSHR (0.46) ALDH1A1KDM4EHPGDLMNAABL1
SCHEMBL3340565 0.77 TSHR (0.56) ALDH1A1HPGDLMNAERN1
SCHEMBL12076370 0.74 PIK3CA (0.43) PIK3CAMTORALDH1A1KDM4EHPGD
SCHEMBL2100248 0.73 CPS1 (0.53) ALDH1A1KDM4EHPGDLMNAKCNH2
SCHEMBL2405475 0.71 ALDH1A1 (0.55) ALDH1A1HPGDLMNAABL1ERN1

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 9 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-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
EP-1784388-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2007-05-16 EP disclosed
WO-2006021759-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2006-03-02 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 (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 PIK3CA 1858/4885MTOR 4548/4885ALDH1A1 42/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PIK3CA 1858/4885MTOR 4548/4885ALDH1A1 42/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PIK3CA 1858/4885MTOR 4548/4885ALDH1A1 42/4885

“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.