SCHEMBL1333699

SCHEMBL1333699

O=C(O)COc1ccc(Cl)cc1Sc1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
RHEB Q15382 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.44
PSMD14 O00487 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
HKDC1 Q2TB90 1/20 0.44

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
SCHEMBL3937802 0.83 ALDH1A1 (0.57) ALDH1A1RHEBKMT2AMEN1KDM4E
SCHEMBL4627838 0.83 TDP1 (0.68) PTGDR2TDP1MAPTTSHRCYP2C9
SCHEMBL1753409 0.80 PTGDR2 (0.59) PTGDR2TDP1MAPTTSHRLMNA
SCHEMBL45506 0.74 MAPT (0.68) ALDH1A1KDM4EHPGDHSD17B10PTGDR2
SCHEMBL1331579 0.74 PTGDR2 (0.52) PTGDR2TDP1MAPTTSHR
SCHEMBL1333184 0.73 TDP1 (0.55) HPGDPTGDR2TDP1MAPTTSHR
2,4-Dichlorophenoxyacetic Acid SCHEMBL4967210 0.71 TDP1 (0.68) ALDH1A1KDM4EHPGDPTGDR2TDP1
SCHEMBL14872199 0.70 LMNA (0.63) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL20536194 0.70 RHEB (1.00) ALDH1A1RHEBKMT2AMEN1KDM4E
2,4-Dichlorophenoxyacetic Acid SCHEMBL28380449 0.69 TDP1 (0.84) ALDH1A1HPGDPTGDR2TDP1MAPT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US claimed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US 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
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-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
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-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 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
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US 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
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 ALDH1A1 616/4885RHEB 3291/4885KMT2A 647/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN ALDH1A1 550/4885RHEB 3787/4885KMT2A 607/4885

“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.