SCHEMBL18720249

SCHEMBL18720249

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP2 P08253 8/20 0.38
MMP9 P14780 7/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MMP8 P22894 3/20 0.38
MMP12 P39900 3/20 0.38
MMP14 P50281 3/20 0.38
CASP1 P29466 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL7415627 0.88 ITGB3 (0.49) ALDH1A1CYP2C9ITGB3ITGA2BMMP2
SCHEMBL7415632 0.88 ITGB3 (0.49) ALDH1A1CYP2C9ITGB3ITGA2BMMP2
Hydrochloric Acid SCHEMBL11142099 0.82 CTSL (0.48) CASP3
SCHEMBL27846161 0.82 ALDH1A1 (0.38) CASP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3448325 0.81 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL3448321 0.81 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL15627516 0.80 BMP1 (0.40) CASP3ITGB3ITGA2BSMN1; SMN2MMP2
SCHEMBL7171127 0.80 BMP1 (0.40) CASP3ITGB3ITGA2BMMP2MMP9
SCHEMBL18720232 0.80 MMP2 (0.49) CASP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25939191 0.79 MMP2 (0.54) CASP3ALDH1A1CYP1A2CYP2C9CYP2C19

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 6 patents. 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
US-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20200101166-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-04-02 US disclosed
US-9808452-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2017-11-07 US disclosed
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2017-04-13 US disclosed
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 (4 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-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRM1, OPRK1, OPRL1 CASP3 2409/4885ALDH1A1 292/4885CYP1A2 101/4885
US-20200101166-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 CASP3 2409/4885ALDH1A1 292/4885CYP1A2 101/4885
US-20170100390-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 CASP3 1565/4885ALDH1A1 169/4885CYP1A2 27/4885
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 CASP3 1565/4885ALDH1A1 169/4885CYP1A2 27/4885

“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.