SCHEMBL2746455

SCHEMBL2746455

C[C](C(N)=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CTSB P07858 3/20 0.47
CTSK P43235 3/20 0.47
UCHL1 P09936 2/20 0.47
CTSS P25774 2/20 0.47
CTSC P53634 2/20 0.47
USP30 Q70CQ3 2/20 0.47
CTSL P07711 1/20 0.47
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SFRP1 Q8N474 4/20 0.46
WNT3 P56703 3/20 0.46
PHGDH O43175 1/20 0.46
HTT P42858 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL2746456 0.81 HTR1A (0.48) MEN1KMT2ACTSBCTSKUCHL1
SCHEMBL14679298 0.81 SFRP1 (0.52) MEN1KMT2ACTSBCTSKUCHL1
SCHEMBL2745838 0.78 EPHX2 (0.34) MEN1KMT2AALDH1A1
SCHEMBL5245677 0.75 MCOLN2 (0.61) CTSBCTSKUCHL1CTSSCTSC
SCHEMBL16219423 0.74 CTSB (0.55) CTSBCTSKUCHL1CTSSCTSC
SCHEMBL12549598 0.73 ALDH1A1 (0.58) MEN1KMT2ACTSBCTSKUCHL1
SCHEMBL2225334 0.72 KDM4E (0.67) KMT2ACTSBCTSKUCHL1CTSS
SCHEMBL8355420 0.72 KDM4E (0.67) KMT2ACTSBCTSKUCHL1CTSS
SCHEMBL27900148 0.72 MEN1 (0.53) MEN1KMT2AALDH1A1HTT
SCHEMBL4966206 0.72 ALDH1A1 (0.66) MEN1KMT2AALDH1A1LMNAHTT

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
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
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 MEN1 4298/4885KMT2A 2255/4885CTSB 541/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MEN1 3984/4885KMT2A 2206/4885CTSB 1025/4885

“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.