SCHEMBL5537262

SCHEMBL5537262

Cc1nc(C(C)(C)C(=O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ECE1 P42892 2/20 0.39
NPC1 O15118 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10245083 0.75 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
SCHEMBL17523074 0.75 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
SCHEMBL77644 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
Hydrochloric Acid SCHEMBL18074287 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
SCHEMBL22869149 0.72 CTPS1 (0.45) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
SCHEMBL19309250 0.71 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL11351815 0.71 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1HPGDPOLBKDM4E
SCHEMBL21076799 0.71 CTPS1 (0.46) SMN1; SMN2ALDH1A1HPGDRAB9APOLB
SCHEMBL12615031 0.71 LMNA (0.57) ALDH1A1KDM4EGAAKMT2ALMNA
SCHEMBL22869148 0.70 CTPS1 (0.44) SMN1; SMN2ALDH1A1HPGDRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP 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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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 SMN1; SMN2 4550/4885ALDH1A1 3505/4885HPGD 1235/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 SMN1; SMN2 4482/4885ALDH1A1 4132/4885HPGD 1169/4885

“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.