SCHEMBL25939191

SCHEMBL25939191

NCCCC[C@@H](C=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.54
MMP9 P14780 1/20 0.54
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
HTR6 P50406 2/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CASP1 P29466 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL18720232 0.95 MMP2 (0.49) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL27676617 0.80 SMN1; SMN2 (0.64) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL18720249 0.79 CASP3 (0.40) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL6562692 0.77 MMP9 (0.87) MMP2MMP9ITGB3ITGA2B
SCHEMBL6562688 0.77 MMP9 (0.87) MMP2MMP9ITGB3ITGA2B
SCHEMBL7292677 0.77 MMP2 (0.54) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL9753071 0.75 MMP9 (0.71) MMP2MMP9SMN1; SMN2ITGB3ITGA2B
SCHEMBL28162376 0.75 ALDH1A1 (0.48) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL29928063 0.74 MMP9 (0.70) MMP2MMP9ITGB3ITGA2BSLC1A3
SCHEMBL5680762 0.74 CASP1 (0.66) MMP2ALDH1A1CYP1A2CYP2C9CYP2C19

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-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 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-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 MMP2 1116/4885MMP9 997/4885ALDH1A1 169/4885

“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.