SCHEMBL2454697

SCHEMBL2454697

COC(=O)c1csc(C(=O)OC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CHEK1 O14757 1/20 0.42
MET P08581 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2454701 0.89 MAPT (0.44) GSK3BMAPTPKMATMKDM4E
SCHEMBL16212681 0.89 GSK3B (0.43) GSK3BMAPTPKMATMKDM4E
SCHEMBL18430430 0.88 KDM4E (0.49) GSK3BMAPTPKMKDM4EGAA
SCHEMBL16212652 0.84 GSK3B (0.51) GSK3BMAPTPKMATMKDM4E
SCHEMBL17678400 0.84 GSK3B (0.40) GSK3BMAPTPKMATMKDM4E
SCHEMBL20263337 0.82 ALDH1A1 (0.41) GSK3BMAPTKDM4ECHEK1MET
SCHEMBL7211424 0.82 MAPT (0.47) GSK3BMAPTCHEK1METLIMK1
SCHEMBL167302 0.82 MAPT (0.51) MAPTPKMATMKDM4EPOLB
SCHEMBL18415992 0.81 GSK3B (0.49) GSK3BMAPTKDM4ECHEK1MET
SCHEMBL1530035 0.81 HPGD (0.39) GSK3BMAPTPKMATMKDM4E

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
CN-109195602-B Symmetrical or semi-symmetrical compounds useful as immunomodulators 上海齐鲁制药研究中心有限公司 2022-01-07 CN disclosed
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
CN-104744446-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-06-25 CN disclosed
EP-3493804-A1 SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS Arising International, Inc. (US) 2019-06-12 EP disclosed
CN-109195602-A Symmetrical or semi-symmetrical compounds useful as immunomodulators 亚星国际公司 2019-01-11 CN disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
WO-2018026971-A1 SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS ARISING INTERNATIONAL, LLC (US) 2018-02-08 WO disclosed
WO-2018026971-A1 SYMMETRIC OR SEMI-SYMMETRIC COMPOUNDS USEFUL AS IMMUNOMODULATORS ARISING INTERNATIONAL, LLC (US) 2018-02-08 WO disclosed
US-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 US disclosed
US-9567465-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-02-14 US disclosed
US-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 US disclosed
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 US disclosed
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-06-27 US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
WO-2012143080-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-10-26 WO disclosed
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-09-29 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 (4 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-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS CBS, ARSA, SOD1 GSK3B 4794/4885MAPT 2812/4885PKM 2159/4885
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 GSK3B 4698/4885MAPT 2316/4885PKM 2422/4885
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 GSK3B 4698/4885MAPT 2316/4885PKM 2422/4885
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 GSK3B 4698/4885MAPT 2316/4885PKM 2422/4885

“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.