SCHEMBL2918653

SCHEMBL2918653

COc1cccc(CN2CC(O)C2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.63
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 1/20 0.54
CMA1 P23946 1/20 0.54
GAA P10253 1/20 0.53
FAAH O00519 1/20 0.53
LPO P22079 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
TACR1 P25103 2/20 0.51

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
SCHEMBL664727 0.88 SIGMAR1 (0.61) SIGMAR1KDM4EALDH1A1MAPTGAA
SCHEMBL19190241 0.85 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1MAPTCMA1
SCHEMBL18663750 0.85 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1MAPTCMA1
SCHEMBL2921693 0.84 SIGMAR1 (0.63) SIGMAR1KDM4EALDH1A1MAPTCMA1
SCHEMBL29028029 0.83 PAX8 (0.51) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL20804357 0.82 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1MAPTGAA
SCHEMBL28186295 0.82 SIGMAR1 (0.90) SIGMAR1KDM4EALDH1A1MAPTGAA
SCHEMBL2918073 0.80 SIGMAR1 (0.57) SIGMAR1KDM4EALDH1A1MAPTCMA1
SCHEMBL23507556 0.80 SIGMAR1 (0.57) SIGMAR1KDM4EALDH1A1MAPTCMA1
SCHEMBL2910904 0.80 SIGMAR1 (0.57) SIGMAR1KDM4EALDH1A1MAPTCMA1

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
EP-1784407-B1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2010-09-08 EP disclosed
US-7662810-B2 Potassium(1R,5S,6S)-2-(1-benzyl-azetidine-3-yl-thio)-6-[(1R)-1-hydroxyethyl]-1-methylcarbapen-2-em-3-carboxylate; antibacterial activities against Grampositive and Gramnegative bacteria and excellent antibacterial activities against resistant bacteria such as methicillin resistant Staphylococcus aureus KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-16 US disclosed
EP-1784407-A4 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2009-02-11 EP disclosed
US-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-18 US disclosed
EP-1784407-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-05-16 EP disclosed
WO-2006025634-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 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-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof SCN9A, SCN2A, SCN5A SIGMAR1 2493/4885KDM4E 232/4885ALDH1A1 2102/4885

“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.