SCHEMBL11980487

SCHEMBL11980487

CS(=O)(=O)OCCCCO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.75
USP2 O75604 2/20 0.75
KDM4E B2RXH2 1/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
MMP9 P14780 1/20 0.75
ALOX15 P16050 1/20 0.75
CA1 P00915 16/20 0.40
CA2 P00918 16/20 0.40
CA9 Q16790 15/20 0.40
CA12 O43570 5/20 0.39
CA7 P43166 5/20 0.39
CA14 Q9ULX7 5/20 0.39
CA3 P07451 4/20 0.39
CA4 P22748 4/20 0.39
CA6 P23280 4/20 0.39
CA5A P35218 4/20 0.39
CA5B Q9Y2D0 4/20 0.39
RECQL P46063 2/20 0.35
GLA P06280 1/20 0.35

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
Busulfan SCHEMBL27869023 1.00 TSHR (0.75) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL9689547 0.98 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL5200794 0.98 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL9690280 0.98 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL9690273 0.98 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL9690377 0.98 TSHR (0.71) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL5049329 0.92
Busulfan SCHEMBL4373 0.87 TSHR (1.00) TSHRUSP2KDM4EALDH1A1LMNA
Busulfan SCHEMBL4764696 0.87 TSHR (1.00) TSHRUSP2KDM4EALDH1A1LMNA
SCHEMBL17334965 0.84 TSHR (0.54) TSHRUSP2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107970209-A The improved parenteral formulation of lipophilic pharmaceutical agent and preparation and use its method 普拉福姆五金器具第二有限公司 2018-05-01 CN claimed
CN-117940133-A Therapeutic agents for degradation of mutant BRAF C4医药公司 2024-04-26 CN disclosed
CN-117440813-A EGFR degrading agents for treating brain or CNS cancer metastasis C4医药公司 2024-01-23 CN disclosed
CN-115458808-A Method for producing lithium fluorosulfonate, nonaqueous electrolytic solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2022-12-09 CN disclosed
CN-111542546-B anti-LAG-3 antibodies and uses thereof 四川科伦博泰生物医药股份有限公司 2022-08-16 CN disclosed
CN-113398070-A Fractionated radiotherapy and chemotherapy using oxygen therapy 埃文·C·昂格尔 2021-09-17 CN disclosed
CN-113387375-A Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2021-09-14 CN disclosed
WO-2021139375-A1 GLUCOSE-6-PHOSPHATE DEHYDROGENASE MUTANT AND USE THEREOF IN PREPARING DETECTION REAGENT 北京九强生物技术股份有限公司 2021-07-15 WO disclosed
CN-108502904-B Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2021-06-08 CN disclosed
CN-111646489-A Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-7723342-B2 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION (US) 2010-05-25 US disclosed
WO-2010000713-A1 LINEAR-DENDRITIC POLYGLYCEROL COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF FREIE UNIVERSITÄT BERLIN (DE) 2010-01-07 WO disclosed
WO-2009153668-A2 METHOD FOR PURIFYING 4-(NITROOXY)BUTYL(2S)-2-(6-METHOXY-2-NAPHTHYL)PROPANOATE NICOX S.A. (FR) 2009-12-23 WO disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
CN-1319851-C Method for producing highly pure solutions using gaseous hydrogen fluoride HONEYWELL SPECIALTY CHEMICALS (DE) 2007-06-06 CN disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
CN-1698232-A Nonaqueous electrolyte solution and lithium secondary battery MITSUBISHI CHEM CORP (JP) 2005-11-16 CN disclosed
CN-1346331-A Method for producing high-purity solutions using gaseous hydrogen fluoride HONEYWELL SPECIALTY CHEMICALS (DE) 2002-04-24 CN 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-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885USP2 3486/4885KDM4E 2599/4885
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof CYP11B2, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 3520/4885USP2 3538/4885KDM4E 2648/4885

“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.