SCHEMBL1333398

SCHEMBL1333398

C[C@H](Oc1ccc(Cl)cc1O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
HTR2A P28223 1/20 0.71
HTR2C P28335 1/20 0.71
HTR2B P41595 1/20 0.71
PTGDR2 Q9Y5Y4 4/20 0.58
PTGDR Q13258 1/20 0.58
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 1/20 0.47
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
TTR P02766 2/20 0.46
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
HSP90AA1 P07900 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HSPA5 P11021 1/20 0.46

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
SCHEMBL27674556 1.00 TSHR (0.71) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL1535831 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL3635462 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL55175 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(S)-Dichlorprop SCHEMBL29426455 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL3017921 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
(R)-Dichlorprop SCHEMBL29725135 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
Rac-Dichlorprop SCHEMBL54510 0.85 TSHR (0.73) TSHRHTR2AHTR2CHTR2BPTGDR2
SCHEMBL11393637 0.84 TSHR (0.51) TSHRHTR2AHTR2CHTR2BPTGDR2
Mecoprop-P SCHEMBL572351 0.83 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US claimed
CN-1845894-B phenoxyacetic acid derivatives ASTRAZENECA AB 2010-07-07 CN claimed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP claimed
JP-2007502806-A 2007-02-15 JP claimed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US claimed
CN-1845894-A phenoxyacetic acid derivatives ASTRAZENECA AB (SE) 2006-10-11 CN claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP claimed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO claimed
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
CN-1845894-B phenoxyacetic acid derivatives ASTRAZENECA AB 2010-07-07 CN disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
CN-1845894-A phenoxyacetic acid derivatives ASTRAZENECA AB (SE) 2006-10-11 CN disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 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 (2 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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 TSHR 655/4885HTR2A 75/4885HTR2C 119/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN TSHR 1766/4885HTR2A 265/4885HTR2C 325/4885

“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.