SCHEMBL6724770

SCHEMBL6724770

C#CCCCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS1 P23219 1/20 0.36
PDE4A P27815 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14816387 0.98 CYP2C19 (0.46) APPCYP2C19CYP1A2CYP2D6MAPT
SCHEMBL30934054 0.98 CYP2C19 (0.46) APPCYP2C19CYP1A2CYP2D6MAPT
SCHEMBL9253225 0.98 CYP2C19 (0.46) APPCYP2C19CYP1A2CYP2D6MAPT
SCHEMBL9365663 0.98 CYP2C19 (0.46) APPCYP2C19CYP1A2CYP2D6MAPT
SCHEMBL9256535 0.98 CYP2C19 (0.46) APPCYP2C19CYP1A2CYP2D6MAPT
SCHEMBL9366283 0.98 CYP2C19 (0.46) APPCYP2C19CYP1A2CYP2D6MAPT
SCHEMBL4750570 0.92
SCHEMBL28438321 0.90 APP (0.44) APPCYP2C19CYP1A2CYP2D6MAPT
Benzene SCHEMBL27390163 0.83 EPHX2 (0.42) CYP2C19CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL5708005 0.81

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
CN-114341128-B Bifunctional protein degradation targeting chimeric compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2024-06-25 CN disclosed
CN-112079866-B ALK protein regulator and anti-tumor application thereof 上海科技大学 2024-05-31 CN disclosed
US-11535647-B2 Peptide purification method using sulfonate compound NAGASE & CO., LTD. (JP) 2022-12-27 US disclosed
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND NAGASE & CO., LTD. (JP) 2022-05-12 US disclosed
WO-2022017442-A1 BIFUNCTIONAL PROTEIN DEGRADATION-TARGETED CHIMERA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 恩瑞生物医药科技(上海)有限公司 2022-01-27 WO disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5622913-A CONTROLLING PLANT GROWTH AMERICAN CYANAMID COMPANY (US) 1997-04-22 US disclosed
US-5599773-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5536702-A (2-imidazolin-2-yl) fused heteropyridine compounds and use of said compounds as herbicidal agents AMERICAN CYANAMID CO. (US) 1996-07-16 US disclosed
US-5536839-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-07-16 US disclosed
US-5534483-A (2-imidazolin-2-yl) fused heteropyridine compounds intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534485-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5534484-A (2-imidazolin-2-yl)fused heteropyridine compounds intermediates for the preparation of and use of said compounds and herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-07-09 US disclosed
US-5532207-A CONTROL OF MONO- AND DI-COTYLEDONOUS ANNUAL, PERENNIAL AND AQUATIC PLANTS; PRE- AND POST-EMERGENCE USE AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed
US-5510319-A PYRROLO-2,3-B-PYRIDINYL DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed
US-5252538-A (2-imidazolin-2-yl) fused heteropyridine compounds, intermediates for the preparation of and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0227932-B1 NOVEL FUSED PYRIDINE COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-01-13 EP disclosed
EP-0227932-A1 Novel fused pyridine compounds, intermediates for the preparation of, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1987-07-08 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 (3 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 APP 3066/4885CYP2C19 415/4885CYP1A2 32/4885
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND VIP, IAPP, RPS27A APP 269/4885CYP2C19 4307/4885CYP1A2 4855/4885
US-11535647-B2 Peptide purification method using sulfonate compound VIP, IAPP, RPS27A APP 269/4885CYP2C19 4307/4885CYP1A2 4855/4885

“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.