SCHEMBL433341

SCHEMBL433341

C=CCCCCOC(=O)CNC(=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.50
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TET2 Q6N021 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.37
ACHE P22303 6/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
NAAA Q02083 1/20 0.34

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
SCHEMBL434895 0.88 TET2 (0.53) EGLN1ALDH1A1LMNAGAATET2
SCHEMBL1337998 0.83 EGLN1 (0.58) EGLN1ALDH1A1GAATET2TDP1
SCHEMBL8220165 0.80 GAA (0.47) ALDH1A1LMNAGAAACHE
SCHEMBL5854855 0.79 EGLN1 (0.70) EGLN1ALDH1A1GAATET2POLB
SCHEMBL26247715 0.76 ALDH1A1 (0.50) ALDH1A1LMNATDP1POLBFAAH
SCHEMBL21986654 0.76 NAAA (0.59) ALDH1A1LMNAFAAHLPAR2LPAR3
Hydrochloric Acid SCHEMBL6031053 0.75 EGLN1 (0.49) EGLN1ALDH1A1LMNAGAATET2
SCHEMBL434612 0.75 CA12 (0.43) ALDH1A1LMNAGAATDP1POLB
SCHEMBL26247997 0.74 ALDH1A1 (0.53) ALDH1A1LMNAFAAHLPAR2LPAR3
SCHEMBL873655 0.74 NAAA (0.62) ALDH1A1LMNAFAAHLPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595994-B1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2016-04-20 EP disclosed
EP-2595994-B1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2016-04-20 EP disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
US-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
EP-2595994-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES Glaxo Group Limited (GB) 2013-05-29 EP disclosed
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES GLAXO GROUP LIMITED (GB) 2013-05-09 US disclosed
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES GLAXO GROUP LIMITED (GB) 2013-05-09 US disclosed
WO-2012012391-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2012-01-26 WO disclosed
WO-2012012391-A2 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2012-01-26 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 (1 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-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES DHPS, AKR1C3, Q6ZSR9 EGLN1 825/4885ALDH1A1 186/4885LMNA 2537/4885

“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.