SCHEMBL2746552

SCHEMBL2746552

C[C](C(N)=O)C(=O)NCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
PAOX Q6QHF9 2/20 0.36
GAA P10253 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
POLB P06746 1/20 0.34
ACHE P22303 3/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL2747678 0.94 TDP1 (0.46) PTGS1KCNH2TDP1KDM4EMAPK1
SCHEMBL2746778 0.92 TDP1 (0.49) TDP1KDM4EMAPK1HIF1APAOX
SCHEMBL2746055 0.92 TDP1 (0.49) TDP1KDM4EMAPK1HIF1APAOX
SCHEMBL2745966 0.87 ALDH1A1 (0.38) TDP1L3MBTL1KDM4EMAPK1HIF1A
SCHEMBL4697573 0.82 GAA (0.47) PTGS1KCNH2TDP1L3MBTL1GAA
SCHEMBL2746168 0.78 KDM4E (0.46) KDM4EMAPK1HIF1APAOXCA12
SCHEMBL13589542 0.78 KDM4E (0.44) PTGS1KCNH2TDP1L3MBTL1KDM4E
SCHEMBL2746079 0.77 MEN1 (0.38) MAPK1CA2ACHE
SCHEMBL2746097 0.77 ECE1 (0.33) KDM4EMAPK1HIF1A
SCHEMBL9489754 0.77 L3MBTL1 (0.53) PTGS1KCNH2TDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 PTGS1 579/4885KCNH2 913/4885TDP1 4135/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 PTGS1 811/4885KCNH2 585/4885TDP1 4197/4885

“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.