SCHEMBL3343296

SCHEMBL3343296

C[C@H](Oc1ccc(C(F)(F)F)cc1I)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
ABCB11 O95342 1/20 0.53
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PPARG P37231 3/20 0.44
KMT2A Q03164 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 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
SCHEMBL2103584 0.83 ABCB11 (0.42) PTGDR2ABCB11MGLLPPARGKMT2A
SCHEMBL4011628 0.82 PTGDR2 (0.60) PTGDR2ABCB11TSHRHTR2AHTR2C
SCHEMBL2101990 0.82 PTGDR2 (0.54) PTGDR2ABCB11MGLLTSHRHTR2A
SCHEMBL2101703 0.81 PTGDR2 (0.53) PTGDR2ABCB11MGLLTSHRHTR2A
SCHEMBL14036604 0.80 KMT2A (0.50) PTGDR2ABCB11TSHRHTR2AHTR2C
SCHEMBL2103586 0.80 PTGDR2 (0.47) PTGDR2ABCB11PPARGPPARAKDM4E
SCHEMBL28671824 0.78 PTGDR2 (0.54) PTGDR2ABCB11MGLLTSHRHTR2A
SCHEMBL28671826 0.78 PTGDR2 (0.54) PTGDR2ABCB11MGLLTSHRHTR2A
SCHEMBL2099802 0.77 TSHR (0.69) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL21057140 0.77 TSHR (0.49) PTGDR2TSHRHTR2AHTR2CHTR2B

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 PTGDR2 724/4885ABCB11 63/4885MGLL 1534/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PTGDR2 724/4885ABCB11 63/4885MGLL 1534/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 PTGDR2 724/4885ABCB11 63/4885MGLL 1534/4885

“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.