SCHEMBL2921022

SCHEMBL2921022

COc1ccc(CN2CC(O)C2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
FAAH O00519 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
CA2 P00918 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49

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
SCHEMBL10511464 0.84 EBP (0.56) SIGMAR1KDM4EMAPK1LMNA
SCHEMBL2923132 0.84 SIGMAR1 (0.58) SIGMAR1KMT2AKDM4EMEN1TP53
SCHEMBL17294949 0.83 SIGMAR1 (0.56) SIGMAR1KMT2AKDM4EMEN1TP53
SCHEMBL17304776 0.83 SIGMAR1 (0.56) SIGMAR1KMT2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL3104704 0.83 SIGMAR1 (0.56) SIGMAR1KMT2AKDM4EMEN1TP53
SCHEMBL1600111 0.81 KMT2A (0.65) SIGMAR1KMT2AKDM4EMEN1TP53
SCHEMBL11460189 0.80 SIGMAR1 (0.50) SIGMAR1KMT2AKDM4EMEN1TP53
Phosphoric Acid SCHEMBL3109027 0.80 SIGMAR1 (0.50) SIGMAR1KMT2AKDM4EMEN1TP53
Sulfuric Acid SCHEMBL3101978 0.80 SIGMAR1 (0.50) SIGMAR1KMT2AKDM4EMEN1TP53
SCHEMBL2917808 0.79 SIGMAR1 (0.52) SIGMAR1KMT2AKDM4EMEN1TP53

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
US-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm Ind co. Ltd (KR) 2010-10-28 US disclosed
EP-1784407-B1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2010-09-08 EP disclosed
EP-2188287-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-05-26 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
WO-2009038328-A2 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-03-26 WO 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 (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-20100274003-A1 ACID ADDITION SALTS OF SYNTHETIC INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS AND PROCESSES FOR PREPARING THE SAME SLC7A5, SI, ADSL SIGMAR1 3931/4885KMT2A 1070/4885KDM4E 871/4885
US-20070244089-A1 2- Arylmethylazetidine Carbapenem Derivatives and Preparation Thereof SCN9A, SCN2A, SCN5A SIGMAR1 2493/4885KMT2A 343/4885KDM4E 232/4885

“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.