SCHEMBL13084367

SCHEMBL13084367

O=C(O)CCCN(CCCS(=O)(=O)O)c1ccc(-c2c(O)c(=O)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
GAA P10253 1/20 0.32
GSK3B P49841 1/20 0.32
PKLR P30613 1/20 0.31
MMP14 P50281 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
SCHEMBL20719955 0.91 GMNN (0.32) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL13084327 0.84 ALDH1A1 (0.40) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL15456978 0.80 GMNN (0.37) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL13086171 0.78 LMNA (0.43) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL20719963 0.76 GMNN (0.35) GMNNALDH1A1LMNACYP2D6MAPT
SCHEMBL16546646 0.74 EGFR (0.41) ALDH1A1MAPTGAA
SCHEMBL13084296 0.73 ALOX5 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL9347243 0.70 LTA4H (0.38) ALDH1A1LMNATSHRSMN1; SMN2GAA
SCHEMBL20719947 0.69
SCHEMBL14619943 0.68 ALDH1A1 (0.36) GMNNALDH1A1LMNACYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 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 (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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 GMNN 3026/4885ALDH1A1 2552/4885LMNA 985/4885

“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.