SCHEMBL25923045

SCHEMBL25923045

CCC(=O)OCCSC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
DGKA P23743 1/20 0.36
GAA P10253 1/20 0.36
METAP2 P50579 2/20 0.36
DNM1 Q05193 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL19443142 0.88 NAAA (0.52) NAAADGKAGAAMETAP2DNM1
SCHEMBL25755665 0.82 MMP1 (0.37) METAP2ALDH1A1ACHE
SCHEMBL458553 0.78 ALDH1A1 (0.43) GAAMETAP2HTTALDH1A1HDAC3
SCHEMBL126543 0.78 HDAC3 (0.34) METAP2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15583422 0.78 NAAA (0.52) NAAADGKAGAADNM1HTT
SCHEMBL25923078 0.76 NAAA (0.42) NAAADGKAGAAMETAP2HTT
SCHEMBL15184972 0.76
SCHEMBL15583446 0.75 NAAA (0.41) NAAAGAAHTTKDM4EALDH1A1
SCHEMBL14389723 0.74 NAAA (0.48) NAAADGKAGAAMETAP2DNM1
SCHEMBL50301 0.74 NAAA (0.64) NAAADGKAGAADNM1HTT

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-20230240297-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CYPROSULFAMIDE BAYER AKTIENGESELLSCHAFT (DE) 2023-08-03 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-20230240297-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CYPROSULFAMIDE AADAC, CYCS, CYP4F12 NAAA 357/4885DGKA 2996/4885GAA 974/4885

“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.