SCHEMBL1333490

SCHEMBL1333490

CCS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2OC)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.48
RXFP1 Q9HBX9 1/20 0.44
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1333435 0.84 PTGDR2 (0.68) PTGDR2
SCHEMBL1332619 0.83 PTGDR2 (0.45) PTGDR2RXFP1FLT1FLT4KDR
SCHEMBL1332079 0.82 ALDH1A1 (0.53) PTGDR2ALDH1A1TP53LMNAHTT
Bicarbonate SCHEMBL5983733 0.78 PTGDR2 (0.46) PTGDR2RXFP1FLT1FLT4KDR
SCHEMBL1650696 0.77 KDM4E (0.42) PTGDR2RXFP1FLT1FLT4KDR
SCHEMBL10061282 0.76 HTT (0.56) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL29224663 0.76 TUBB4A (0.50) ALDH1A1LMNAHTT
SCHEMBL4790579 0.75 SMN1; SMN2 (0.48) PTGDR2RXFP1FLT1FLT4KDR
SCHEMBL1333432 0.73 PTGDR2 (0.67) PTGDR2TSHRTDP1
SCHEMBL1332055 0.71 PTGDR2 (0.55) PTGDR2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGDR2 13/4885RXFP1 76/4885FLT1 1029/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN PTGDR2 256/4885RXFP1 384/4885FLT1 993/4885

“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.