SCHEMBL693608

SCHEMBL693608

O=[N+]([O-])c1cc(CO)cs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
MAPT P10636 7/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM8 O00222 2/20 0.37
GRM4 Q14833 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRM6 O15303 1/20 0.36
TSHR P16473 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL13753721 0.80 PTPRC (0.41) PTPRCMAPTNPSR1KMT2APAX8
SCHEMBL14445422 0.79 PTPRC (0.41) PTPRCMAPTNPSR1KMT2APAX8
SCHEMBL11537268 0.77 PTPRC (0.39) PTPRCMAPTNPSR1KMT2APAX8
SCHEMBL14445423 0.74 RPS6KB2 (0.45) PTPRCMAPTNPSR1KMT2APAX8
SCHEMBL25286295 0.73 LMNA (0.45) MAPTKMT2AGAAMAPK1ALDH1A1
SCHEMBL22775395 0.73 GRM8 (0.53) PTPRCGRM8GRM4GRM6
SCHEMBL9320506 0.72 KCNH2 (0.47) ALDH1A1
SCHEMBL2136898 0.71 XDH (0.40) PTPRCMAPTNPSR1KMT2A
SCHEMBL2016370 0.70 PTPRC (0.46) PTPRCMAPTNPSR1KMT2APAX8
SCHEMBL259685 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448952-B Antiviral compounds and uses thereof ABBVIE (US) 2014-10-29 CN disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
CN-102448952-A Antiviral compounds and uses thereof ABBOTT LAB 2012-05-09 CN disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
EP-2421845-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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 (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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 PTPRC 576/4885MAPT 4152/4885NPSR1 4135/4885
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 PTPRC 3076/4885MAPT 3576/4885NPSR1 3163/4885

“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.