SCHEMBL742185

SCHEMBL742185

O=S(=O)(O)CCCC[N+](CCO)(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
LMNA P02545 1/20 0.33
SLC6A6 P31641 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
EPHX2 P34913 1/20 0.32
DNM1 Q05193 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 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
SCHEMBL11244311 0.93 APP (0.42) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL739462 0.88 DNM1 (0.35) APPEPHX2DNM1SLC22A2SLC22A1
SCHEMBL7803583 0.83 PTGS1 (0.38) APPPTGS1PDE4ALMNASLC6A6
SCHEMBL9785036 0.82 SLC22A1 (0.48) DNM1SLC22A2SLC22A1
SCHEMBL11879878 0.82 SLC22A1 (0.48) DNM1SLC22A2SLC22A1
Betaine SCHEMBL11241340 0.82 TSHR (0.42) LMNAEPHX2DNM1
SCHEMBL1608022 0.80 BBOX1 (0.45) LMNAEPHX2DNM1
SCHEMBL35194 0.80 SLC22A1 (0.52) EPHX2DNM1SLC22A2SLC22A1
SCHEMBL29506651 0.80 SLC22A1 (0.56) EPHX2DNM1SLC22A2SLC22A1
SCHEMBL10138705 0.80 SLC22A1 (0.56) EPHX2DNM1SLC22A2SLC22A1

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
EP-2430195-B1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA INC (US) 2019-01-23 EP disclosed
US-20140065627-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2014-03-06 US disclosed
US-20140065627-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2014-03-06 US disclosed
US-8519125-B2 Compositions and methods for biological sample storage BIOMATRICA, INC. (US) 2013-08-27 US disclosed
US-8519125-B2 Compositions and methods for biological sample storage BIOMATRICA, INC. (US) 2013-08-27 US disclosed
EP-2430195-A2 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE Biomatrica, INC. (US) 2012-03-21 EP disclosed
US-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2011-04-07 US disclosed
US-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2011-04-07 US disclosed
WO-2010132508-A2 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2010-11-18 WO 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-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE DNASE1, DIS3, NEFM APP 2662/4885PTGS1 4345/4885PDE4A 3207/4885

“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.