SCHEMBL631289

SCHEMBL631289

O=CCc1ccc2sccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.61
PTPRC P08575 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
DYRK1A Q13627 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CA12 O43570 4/20 0.39
CA2 P00918 4/20 0.39
TPSAB1 Q15661 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL29833385 0.85 CYP2A6 (0.43) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL7247231 0.85 CYP2A6 (0.43) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL20906497 0.83 CYP2A6 (0.59) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL28997907 0.83 CYP2A6 (0.59) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL28882471 0.80 CYP2A6 (0.61) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL28745145 0.80 CYP2A6 (0.56) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL9112228 0.78 CYP2A6 (0.53) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL52010 0.77 SIGMAR1 (0.51) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL28350966 0.76 CYP2A6 (0.51) CYP2A6PTPRCPTPN6PTPN11PTPN22
SCHEMBL28273323 0.76 CYP2A6 (0.51) CYP2A6PTPRCPTPN6PTPN11PTPN22

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 26 patents — showing the first 20. 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
CN-101151257-B Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO LTD 2012-07-18 CN 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-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-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
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
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-7662824-B2 Acylhydrazones as kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-16 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
CN-101151257-A Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2008-03-26 CN 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
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP disclosed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 WO disclosed
US-6660764-B2 Telomerase inhibitors such as trans-3-(benzothien-6-yl)-but-2-enoic acid-N-(2-carboxy-phenyl)-amide; use as antitumor agent BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-09 US disclosed
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-05 US 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 CYP2A6 1393/4885PTPRC 2354/4885PTPN6 1597/4885
US-20020123509-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof ASS1, ADCY1, ADCY3 CYP2A6 39/4885PTPRC 4110/4885PTPN6 3760/4885

“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.