SCHEMBL25207397

SCHEMBL25207397

O=C(CCCS(=O)(=O)O)c1cc([N+](=O)[O-])ccc1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 5/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
ACP1 P24666 2/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNH2 Q12809 1/20 0.35
DAGLA Q9Y4D2 2/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL20876159 0.85 TDP1 (0.46) L3MBTL1KMT2ATP53HTTALDH1A1
SCHEMBL6510484 0.72 ALDH1A1 (0.59) KMT2ATP53HTTALDH1A1MAPT
SCHEMBL25267231 0.71 TP53 (0.42) L3MBTL1TP53HTTALDH1A1MAPT
SCHEMBL30868088 0.70 KMT2A (0.60) KMT2AALDH1A1MAPTCYP3A4ALOX15
SCHEMBL20876133 0.69 KMT2A (0.59) KMT2AHTTALDH1A1MAPTMEN1
SCHEMBL13331017 0.67 MAPT (0.53) L3MBTL1KMT2ATP53HTTALDH1A1
SCHEMBL10431053 0.67 ALDH1A1 (0.52) L3MBTL1KMT2AHTTALDH1A1MAPT
SCHEMBL24407433 0.67 GPR35 (0.46) TP53ALDH1A1ACP1TDP1GAA
SCHEMBL1530458 0.66 CYP1A2 (0.45) KMT2ATP53HTTALDH1A1ACP1
SCHEMBL1530461 0.66 CYP1A2 (0.45) KMT2ATP53HTTALDH1A1ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661398-B2 Cellular transport system for transferring a sulfonic acid construct carrying a cargo into the cytoplasm of a cell Scientist of Fortune, S.A. (LU) 2023-05-30 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-11661398-B2 Cellular transport system for transferring a sulfonic acid construct carrying a cargo into the cytoplasm of a cell GOT1, GGCT, TGM2 L3MBTL1 3360/4885KMT2A 2449/4885TP53 2297/4885

“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.