SCHEMBL740937

SCHEMBL740937

CC[N+]1(CCCCS(=O)(=O)[O-])CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
THPO P40225 1/20 0.31
HBB P68871 1/20 0.31
PMP22 Q01453 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
SCHEMBL29022080 0.89 CDC25A (0.34) BBOX1SMN1; SMN2
SCHEMBL12735215 0.85 APP (0.32)
SCHEMBL11010044 0.84 CDC25A (0.39) BBOX1SMN1; SMN2TSHRMAPK1
Sulfuric Acid SCHEMBL21819838 0.83 CDC25A (0.40) TSHRMAPK1
SCHEMBL738651 0.83 SMN1; SMN2 (0.46) BBOX1SMN1; SMN2GMNNALDH1A1LMNA
SCHEMBL18526268 0.82 CTDSP1 (0.33)
SCHEMBL27191541 0.79 APP (0.33)
SCHEMBL15819766 0.79 HPGD (0.41) BBOX1SMN1; SMN2GMNNALDH1A1LMNA
SCHEMBL9936322 0.78 HPGD (0.34)
Sulfuric Acid SCHEMBL21819840 0.77 CDC25A (0.38) TP53

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 6 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-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
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 BBOX1 1347/4885SMN1; SMN2 351/4885GMNN 2039/4885

“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.