SCHEMBL632517

SCHEMBL632517

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccc2sccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
CYP2A6 P11509 2/20 0.37
CTNNB1 P35222 3/20 0.37
WNT3A P56704 3/20 0.37
HTR2C P28335 2/20 0.36
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
HTR2A P28223 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL23987253 0.84 ALDH1A1 (0.42) KMT2APTPRCPTPN6PTPN11PTPN22
SCHEMBL631311 0.83 PTPRC (0.34) KMT2APTPRCPTPN6PTPN11PTPN22
SCHEMBL632780 0.81 CA12 (0.41) CYP2A6CTNNB1WNT3AHTR2CCA2
SCHEMBL631350 0.77 CTNNB1 (0.46) KMT2APTPRCPTPN6PTPN11PTPN22
SCHEMBL11121473 0.77 CTSS (0.41) CTNNB1WNT3AHTR2C
SCHEMBL28796379 0.75 CTNNB1 (0.41) KMT2ACYP2A6CTNNB1WNT3AHTR2C
SCHEMBL25569830 0.75 NPY5R (0.36) PTPRCPTPN6PTPN11PTPN22CYP2A6
SCHEMBL25569834 0.74 PTPRC (0.34) PTPRCPTPN6PTPN11PTPN22CYP2A6
SCHEMBL8933065 0.72 KDM4E (0.47) KMT2ALMNAKDM4E
SCHEMBL26619325 0.72 AKR1C3 (0.53) LMNACTNNB1WNT3AKDM4EALDH1A1

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 13 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-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
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 KMT2A 4171/4885LMNA 3028/4885PTPRC 2354/4885
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 KMT2A 4171/4885LMNA 3028/4885PTPRC 2354/4885

“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.