SCHEMBL25006391

SCHEMBL25006391

CCC(=O)OCC(S)OC(=O)S

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
MAPT P10636 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
Ethylene Glycol SCHEMBL6300410 0.82 NAAA (0.34) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL6300411 0.74
SCHEMBL9818993 0.72 NAAA (0.39) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL14191352 0.72 TSHR (0.52) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL3628331 0.72 TSHR (0.52) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL31187667 0.71 NAAA (0.38) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL2877928 0.71 ALDH1A1 (0.38) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL20236977 0.71 LMNA (0.38) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL22721833 0.71 ALDH1A1 (0.42) NAAAALDH1A1LMNACYP3A4TSHR
SCHEMBL28987904 0.71

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-20230043518-A1 CANCER IMMUNOTHERAPY Axelia Oncology Pty Ltd (AU) 2023-02-09 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-20230043518-A1 CANCER IMMUNOTHERAPY TLR2, CD274, PDCD1LG2 NAAA 1757/4885ALDH1A1 1771/4885LMNA 3263/4885

“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.