SCHEMBL2041571

SCHEMBL2041571

c1csc(C2OCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL19690771 0.76
SCHEMBL1522730 0.74
SCHEMBL19354579 0.74
SCHEMBL6920447 0.74 KDM4E (0.37) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL454997 0.71 MAPT (0.43) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL2044222 0.71 SMN1; SMN2 (0.43) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL9522063 0.71 AKT1 (0.43) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL11279009 0.70 MAPK1 (0.39) KDM4EHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL11280178 0.70 MAPT (0.35) KDM4ETSHRHTTMAPTSMN1; SMN2
SCHEMBL497608 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106892908-B Synthetic method of 5- (8-bromo-2, 3-diphenyl quinoxaline-5-yl) thiophene-2-formaldehyde 西安瑞联新材料股份有限公司 2021-04-06 CN claimed
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
CN-106892908-B Synthetic method of 5- (8-bromo-2, 3-diphenyl quinoxaline-5-yl) thiophene-2-formaldehyde 西安瑞联新材料股份有限公司 2021-04-06 CN disclosed
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION 2021-02-18 US disclosed
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-12-08 US disclosed
WO-2020044213-A1 DIPHENYLAMINO-METHYLENE MALONONITRILE BASED COMPOUNDS AS FLUORESCENCE PROBES UNIVERSITY OF HYDERABAD (IN) 2020-03-05 WO disclosed
WO-2020044213-A1 DIPHENYLAMINO-METHYLENE MALONONITRILE BASED COMPOUNDS AS FLUORESCENCE PROBES UNIVERSITY OF HYDERABAD (IN) 2020-03-05 WO disclosed
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 US disclosed
US-10074813-B2 Organic semiconductor composition and method for manufacturing organic semiconductor element FUJIFILM CORPORATION (JP) 2018-09-11 US disclosed
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-28 US disclosed
CN-1332743-A Cell adhesion-inhibiting antinflammatory compounds ABBOTT CO (US) 2002-01-23 CN disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed
EP-0714295-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-12-20 EP disclosed
EP-0714295-A4 1996-07-10 EP disclosed
EP-0714295-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
US-5397791-A Anticoagulants MERCK & CO., INC. (US) 1995-03-14 US disclosed
WO-1995004531-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-02-16 WO disclosed
EP-0596120-A1 THIOPHENE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 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 (6 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-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C KDM4E 3896/4885TSHR 3137/4885HTT 1082/4885
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C KDM4E 3896/4885TSHR 3137/4885HTT 1082/4885
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C KDM4E 3896/4885TSHR 3137/4885HTT 1082/4885
US-10074813-B2 Organic semiconductor composition and method for manufacturing organic semiconductor element OR10J3, NR0B1, NR1H3 KDM4E 2477/4885TSHR 1513/4885HTT 3621/4885
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C KDM4E 3896/4885TSHR 3137/4885HTT 1082/4885
US-20020026052-A1 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors PKD1, PKD2, CSNK1A1 KDM4E 1875/4885TSHR 1863/4885HTT 3954/4885

“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.