SCHEMBL1333653

SCHEMBL1333653

CCS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2O[C@@H](C)C(=O)O)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.58
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
PTGDR Q13258 1/20 0.44
TTR P02766 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL28330663 1.00 PTGDR2 (0.58) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1331642 0.89 SMN1; SMN2 (0.47) PTGDR2TSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL20587837 0.88 TSHR (0.53) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL30100272 0.88 TSHR (0.53) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1332563 0.88 TSHR (0.53) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1331643 0.88 PTGDR2 (0.54) PTGDR2
SCHEMBL27849129 0.84 PTGDR2 (0.51) PTGDR2TTRMCL1
SCHEMBL1753418 0.84 PTGDR2 (0.76) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL1332548 0.81 PTGDR2 (0.71) PTGDR2TSHRPTGDR
SCHEMBL4015627 0.81 PTGDR2 (0.55) 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 77 patents — showing the first 20. 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
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 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-20250228870-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS ASTRAZENECA AB (SE) 2025-07-17 US disclosed
EP-4548972-A2 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2025-05-07 EP disclosed
EP-3744714-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2025-01-15 EP disclosed
US-20240336582-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2024-10-10 US disclosed
US-12054465-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2024-08-06 US disclosed
US-20240132455-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2024-04-25 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 (6 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-20240132455-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 PTGDR2 1586/4885TSHR 4180/4885HTR2A 3152/4885
US-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 PTGDR2 13/4885TSHR 655/4885HTR2A 75/4885
US-12054465-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 PTGDR2 1586/4885TSHR 4180/4885HTR2A 3152/4885
US-20240336582-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 PTGDR2 1586/4885TSHR 4180/4885HTR2A 3152/4885
US-20250228870-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING BRONCHIECTASIS DPEP1, TPP1, DPP9 PTGDR2 1659/4885TSHR 4357/4885HTR2A 3500/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN PTGDR2 256/4885TSHR 1766/4885HTR2A 265/4885

“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.