SCHEMBL632769

SCHEMBL632769

CCCCOC(=O)CCOCCc1ccc2sccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
CYP2A6 P11509 1/20 0.39
PLA2G4A P47712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
APP P05067 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
DGKA P23743 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL632046 0.93 SIGMAR1 (0.49) SIGMAR1CYP2A6APPCA12CA2
SCHEMBL632461 0.86 SIGMAR1 (0.53) SIGMAR1CYP2A6CA12CA2KDM4E
SCHEMBL52071 0.85 SIGMAR1 (0.60) SIGMAR1CYP2A6ALDH1A1CA12CA2
SCHEMBL2706326 0.82 SIGMAR1 (0.48) SIGMAR1CYP2A6ALDH1A1APPCTNNB1
SCHEMBL48153 0.81 SIGMAR1 (0.49) SIGMAR1CYP2A6CA12CA2CTNNB1
SCHEMBL47994 0.80 SIGMAR1 (0.55) SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4
SCHEMBL3816500 0.80 SIGMAR1 (0.56) SIGMAR1CYP2A6CA12CA2CTNNB1
SCHEMBL52456 0.79 SIGMAR1 (0.52) SIGMAR1CYP2A6PLA2G4ACA12CA2
SCHEMBL14336107 0.78 SIGMAR1 (0.53) SIGMAR1CYP2A6CTNNB1WNT3AMRGPRX4
SCHEMBL3815589 0.75 SIGMAR1 (0.52) SIGMAR1CYP2A6CA12CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348022-B1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2013-01-09 EP disclosed
US-8273902-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
US-8273902-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-25 US disclosed
EP-2248809-B1 Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives TOYAMA CHEMICAL CO LTD (JP) 2012-05-09 EP disclosed
EP-2210884-B1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP disclosed
EP-2348022-A1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof Toyama Chemical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-7951963-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-7951963-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-7951963-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
EP-2248809-A1 Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives TOYAMA CHEMICAL CO., LTD. (JP) 2010-11-10 EP disclosed
EP-2210884-A2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-28 EP disclosed
US-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-03-12 US disclosed
US-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-03-12 US disclosed
US-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-03-12 US disclosed
EP-1864978-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-12 EP disclosed
EP-1864978-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-12 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-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX SIGMAR1 1914/4885CYP2A6 1393/4885PLA2G4A 2217/4885
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX SIGMAR1 1914/4885CYP2A6 1393/4885PLA2G4A 2217/4885

“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.