SCHEMBL15345862

SCHEMBL15345862

CCN(CC)CCCCS(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
APP P05067 1/20 0.41
PAOX Q6QHF9 1/20 0.39
EPHX2 P34913 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
USP2 O75604 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CACNA1F O60840 1/20 0.31
CHRM2 P08172 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
SCHEMBL27938410 0.98 NPSR1 (0.47) NPSR1APPPAOXEPHX2SIGMAR1
Sulfuric Acid SCHEMBL29054619 0.98 NPSR1 (0.52) NPSR1APPPAOXEPHX2SIGMAR1
SCHEMBL918207 0.93 NPSR1 (0.50) NPSR1APPPAOXEPHX2SIGMAR1
Water SCHEMBL21295559 0.91 NPSR1 (0.48) NPSR1APPPAOXEPHX2SIGMAR1
SCHEMBL2185541 0.86 NPSR1 (0.44) NPSR1APPPAOXEPHX2ALDH1A1
Tetrabuthylammonium SCHEMBL15345898 0.86 SLC22A1 (0.40) NPSR1EPHX2ALDH1A1KDM5AKDM4C
SCHEMBL16395980 0.86 LMNA (0.43) NPSR1PAOXEPHX2ALDH1A1LMNA
SCHEMBL4185963 0.84 APP (0.39) NPSR1APPEPHX2LMNAPTGS1
SCHEMBL3117109 0.83 NPSR1 (0.44) NPSR1APPPAOXSIGMAR1ALDH1A1
Eprodisate SCHEMBL23795566 0.83 APP (0.46) NPSR1APPPAOXEPHX2ALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP claimed
CN-107108486-B Process for producing specific acetals and ketals 帝斯曼知识产权资产管理有限公司 2023-06-02 CN disclosed
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
US-20210347766-A1 METHODS OF MANUFACTURE AND SYNTHESIS OF FLUORESCENT DYE COMPOUNDS AND USES THEREOF On Target Laboratories, Inc. 2021-11-11 US disclosed
EP-3242864-B1 PROCESS OF PRODUCTION OF SPECIFIC KETALS DSM IP ASSETS BV (NL) 2019-08-14 EP disclosed
EP-3242864-B1 PROCESS OF PRODUCTION OF SPECIFIC KETALS DSM IP ASSETS BV (NL) 2019-08-14 EP disclosed
EP-3242864-A1 PROCESS OF PRODUCTION OF SPECIFIC ACETALS AND KETALS DSM IP Assets B.V. (NL) 2017-11-15 EP disclosed
EP-3002124-B1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORP (JP) 2017-08-23 EP disclosed
EP-2716467-B1 PRESENSITIZED PLATE FOR LITHOGRAPHIC PRINTING AND METHOD FOR PROCESSING SAME FUJIFILM CORP (JP) 2016-11-16 EP disclosed
WO-2016110560-A1 PROCESS OF PRODUCTION OF SPECIFIC ACETALS AND KETALS DSM IP ASSETS B.V. (NL) 2016-07-14 WO disclosed
WO-2016110560-A1 PROCESS OF PRODUCTION OF SPECIFIC ACETALS AND KETALS DSM IP ASSETS B.V. (NL) 2016-07-14 WO disclosed
EP-3002124-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE Fujifilm Corporation (JP) 2016-04-06 EP disclosed
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 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 (1 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-20210347766-A1 METHODS OF MANUFACTURE AND SYNTHESIS OF FLUORESCENT DYE COMPOUNDS AND USES THEREOF DDC, AADAT, ALAD NPSR1 987/4885APP 966/4885PAOX 2465/4885

“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.