SCHEMBL13086171

SCHEMBL13086171

Cc1ccc(N(CCCC(=O)O)CCCS(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
GMNN O75496 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
PMP22 Q01453 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
KMT2A Q03164 2/20 0.43
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL13086215 0.89 CNR2 (0.41) ALDH1A1MAPTKMT2AKEAP1NFE2L2
SCHEMBL13086504 0.84 SMN1; SMN2 (0.43) LMNAALDH1A1CYP2D6SMN1; SMN2KMT2A
SCHEMBL6302951 0.82 CNR2 (0.47) ALDH1A1TSHRMAPTKMT2ACNR2
SCHEMBL31037871 0.80 SRC (0.48) LMNAALDH1A1TSHRGMNNCYP2D6
SCHEMBL17491037 0.80 CNR2 (0.41) ALDH1A1TSHRMAPTKMT2AKEAP1
SCHEMBL13084367 0.78 GMNN (0.38) LMNAALDH1A1TSHRGMNNCYP2D6
SCHEMBL2805280 0.78 KMT2A (0.50) LMNAALDH1A1TSHRGMNNCYP2D6
SCHEMBL15456978 0.77 GMNN (0.37) LMNAALDH1A1TSHRGMNNCYP2D6
SCHEMBL15998117 0.77 TP53 (0.34) LMNAALDH1A1MAPTKMT2ARAB9A
Toluene SCHEMBL3695876 0.77 KMT2A (0.47) LMNAALDH1A1TSHRMAPTSMN1; SMN2

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-20200199369-A9 LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS SETA BIOMEDICALS, LLC 2020-06-25 US disclosed
US-20190048196-A1 LUMINESCENT SQUARAINE ROTAXANE COMPOUNDS SETA BIOMEDICALS LLC (US) 2019-02-14 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 LMNA 985/4885ALDH1A1 2552/4885TSHR 3692/4885

“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.