SCHEMBL18720232

SCHEMBL18720232

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ITGB3 P05106 5/20 0.42
ITGA2B P08514 5/20 0.42
HTR6 P50406 2/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CASP3 P42574 1/20 0.40
CASP1 P29466 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL25939191 0.95 MMP2 (0.54) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL27676617 0.81 SMN1; SMN2 (0.64) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL18720249 0.80 CASP3 (0.40) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL28162376 0.77 ALDH1A1 (0.48) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL5680762 0.75 CASP1 (0.66) MMP2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27846161 0.72 ALDH1A1 (0.38) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL6562692 0.72 MMP9 (0.87) MMP2MMP9ITGB3ITGA2B
SCHEMBL7292677 0.72 MMP2 (0.54) MMP2MMP9ALDH1A1CYP1A2CYP2C9
SCHEMBL6562688 0.72 MMP9 (0.87) MMP2MMP9ITGB3ITGA2B
SCHEMBL18720236 0.71 MMP9 (0.61) MMP2MMP9ITGB3ITGA2BSLC1A3

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-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-04-13 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-20170100390-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.