SCHEMBL3345930

SCHEMBL3345930

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
HTR2B P41595 1/20 0.69
PTGDR2 Q9Y5Y4 4/20 0.57
PTGDR Q13258 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
ALOX12 P18054 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2099802 1.00 TSHR (0.69) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL3635462 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL55175 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL3017921 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL54510 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL29725135 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL29426455 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL1535831 0.83 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL7577393 0.82 TSHR (0.71) TSHRHTR2AHTR2CHTR2BPTGDR2
Mecoprop-P SCHEMBL572351 0.82 TSHR (1.00) TSHRHTR2AHTR2CHTR2BPTGDR2

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 TSHR 1185/4885HTR2A 570/4885HTR2C 434/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TSHR 1185/4885HTR2A 570/4885HTR2C 434/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TSHR 1185/4885HTR2A 570/4885HTR2C 434/4885

“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.