SCHEMBL3533041

SCHEMBL3533041

O=C(O)C1CCCS1(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20450497 1.00 ITGB1 (0.34) ITGB1ITGA4KDM4EPOLBL3MBTL1
SCHEMBL20450494 1.00 ITGB1 (0.34) ITGB1ITGA4KDM4EPOLBL3MBTL1
SCHEMBL14109637 0.93 KDM4E (0.34) ITGB1ITGA4KDM4EPOLBL3MBTL1
SCHEMBL19551051 0.93 KDM4E (0.34) ITGB1ITGA4KDM4EPOLBL3MBTL1
SCHEMBL19550447 0.93 KDM4E (0.34) ITGB1ITGA4KDM4EPOLBL3MBTL1
SCHEMBL10652010 0.78 ITGB1 (0.31) ITGB1ITGA4
SCHEMBL68010 0.74 PEPD (0.32)
SCHEMBL8673125 0.73 GLI1 (0.36)
SCHEMBL10652185 0.73
SCHEMBL8773168 0.73 ITGB1 (0.36) ITGB1ITGA4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876483-A Dicationic benzimidazole corrosion inhibitor and preparation method thereof 邓颖菁 2021-06-01 CN claimed
US-12466821-B2 Antiviral pyridopyrazinedione compounds NOVARTIS AG (CH) 2025-11-11 US disclosed
US-20250281424-A1 SMALL MOLECULE ANTAGONISTS OF PF4 ZHOU YUHANG (US) 2025-09-11 US disclosed
CN-118047694-A Quaternary ring amide compound and application thereof 青岛清原化合物有限公司 2024-05-17 CN disclosed
US-20240045350-A1 RESIN PARTICLE, TONER, DEVELOPING AGENT, TONER ACCOMMODATING UNIT, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH COMPANY, LTD. (JP) 2024-02-08 US disclosed
EP-4251622-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
CN-116323620-A Aromatic bridged cyclic amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-06-23 CN disclosed
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-02-16 US disclosed
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-02-16 US disclosed
WO-2022112205-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
WO-2020053654-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS AG (CH) 2020-03-19 WO disclosed
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS NOVARTIS AG (CH) 2020-03-12 US disclosed
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor AMGEN INC. (US) 2018-12-11 US disclosed
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2018-08-09 US disclosed
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
CN-106663835-A Flexible secondary battery and method for manufacturing same JENAX股份有限公司 2017-05-10 CN disclosed
US-20160264544-A1 Tetrahydrothiophene-based GABA Aminotransferase Inactivators NORTHWESTERN UNIVERSITY 2016-09-15 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 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 (9 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-20160264544-A1 Tetrahydrothiophene-based GABA Aminotransferase Inactivators ABAT, TST, DLAT ITGB1 4822/4885ITGA4 4815/4885KDM4E 1933/4885
US-20250281424-A1 SMALL MOLECULE ANTAGONISTS OF PF4 PF4, F12, F2 ITGB1 319/4885ITGA4 26/4885KDM4E 1473/4885
US-12466821-B2 Antiviral pyridopyrazinedione compounds ZC3HAV1, IL5, TYMP ITGB1 3751/4885ITGA4 3469/4885KDM4E 508/4885
US-20180222895-A1 COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, GPR27 ITGB1 3335/4885ITGA4 3192/4885KDM4E 4550/4885
US-20230052629-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP ITGB1 3751/4885ITGA4 3469/4885KDM4E 508/4885
US-20200079772-A1 ANTIVIRAL PYRIDOPYRAZINEDIONE COMPOUNDS ZC3HAV1, IL5, TYMP ITGB1 3751/4885ITGA4 3469/4885KDM4E 508/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 ITGB1 292/4885ITGA4 1067/4885KDM4E 4644/4885
US-10150760-B2 Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor TBXA2R, APLNR, GPR27 ITGB1 3335/4885ITGA4 3192/4885KDM4E 4550/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 ITGB1 3394/4885ITGA4 3575/4885KDM4E 4587/4885

“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.