SCHEMBL48139

SCHEMBL48139

OCCc1ccc2sccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.61
SIGMAR1 Q99720 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.44
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
SLC5A2 P31639 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CA2 P00918 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
OPRM1 P35372 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
SCHEMBL3810731 0.85 KDM4E (0.44) CYP2A6SIGMAR1KDM4EALDH1A1ALOX5
SCHEMBL202744 0.84 CYP2A6 (0.66) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
SCHEMBL3813009 0.83 SIGMAR1 (0.60) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
Hydrochloric Acid SCHEMBL31305343 0.82 CYP2A6 (0.63) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
SCHEMBL13873189 0.81 SIGMAR1 (0.57) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
SCHEMBL3789042 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
SCHEMBL2091182 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
SCHEMBL14756142 0.81 CYP2A6 (0.72) CYP2A6SIGMAR1KDM4EALDH1A1GAA
SCHEMBL48070 0.81 SIGMAR1 (0.64) CYP2A6SIGMAR1PTPRCPTPN6PTPN11
Hydrochloric Acid SCHEMBL20564250 0.79 CYP2A6 (0.70) CYP2A6SIGMAR1KDM4EALDH1A1GAA

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
WO-2023169481-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AS PAN-KRAS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 思路迪生物医药(上海)有限公司 2023-09-14 WO disclosed
CN-114874201-B Pan-KRAS inhibitor and preparation and application thereof 思路迪生物医药(上海)有限公司 2023-01-20 CN disclosed
CN-114874201-A Pan-KRAS inhibitor and preparation and application thereof 思路迪生物医药(上海)有限公司 2022-08-09 CN disclosed
CN-114075189-A Five-membered heterocyclic acene ring compound and preparation method and medical application thereof 南京柯菲平盛辉制药有限公司 2022-02-22 CN disclosed
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
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-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 EP disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 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 CYP2A6 1393/4885SIGMAR1 1914/4885KDM4E 2675/4885
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 CYP2A6 1393/4885SIGMAR1 1914/4885KDM4E 2675/4885

“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.