SCHEMBL1714829

SCHEMBL1714829

C[C@H]1CN(C(=O)O)CCN1C(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
HSD11B1 P28845 1/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
OPRK1 P41145 1/20 0.50
LIMK2 P53671 1/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.48
TACR3 P29371 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
CHRM1 P11229 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 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
SCHEMBL4942679 0.88 HPGD (0.62) ALDH1A1HPGDPTGDR2POLBSMN1; SMN2
SCHEMBL1715049 0.83 GPR119 (0.51) ALDH1A1HPGDGLAHSD11B1PTGDR2
SCHEMBL4113820 0.81 ALDH1A1 (0.68) ALDH1A1HPGDGLAHSD11B1PTGDR2
SCHEMBL5007981 0.78 PREP (0.55) ALDH1A1OPRK1PDK1PDK2PDK3
SCHEMBL3462009 0.78 ALDH1A1 (0.68) ALDH1A1HPGDGLAKDM4EPOLB
SCHEMBL12599420 0.78 ALDH1A1 (0.68) ALDH1A1HPGDGLAKDM4EPOLB
SCHEMBL3712727 0.78 HTT (0.62) HPGDTSHRL3MBTL1
SCHEMBL13280179 0.77 HPGD (0.74) ALDH1A1HPGDGLAKDM4ECHRM1
SCHEMBL3322121 0.77 CHRM1 (0.55) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL26125381 0.77 HPGD (0.74) ALDH1A1HPGDGLAKDM4ECHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1817282-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-08-15 EP disclosed
WO-2006056752-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-06-01 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-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 ALDH1A1 239/4885HPGD 417/4885GLA 1999/4885
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH ALDH1A1 288/4885HPGD 528/4885GLA 1003/4885

“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.