SCHEMBL20008635

SCHEMBL20008635

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.67
MMP2 P08253 10/20 0.67
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
ADAMTS4 O75173 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL28212986 1.00 MMP9 (0.67) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL18720236 0.96 MMP9 (0.61) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL200245 0.87 MMP2 (0.57) MMP9MMP2ITGB3ITGA2BMMP8
SCHEMBL200247 0.87 MMP2 (0.57) MMP9MMP2ITGB3ITGA2BMMP8
SCHEMBL29928063 0.86 MMP9 (0.70) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL6562688 0.86 MMP9 (0.87) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL6562692 0.86 MMP9 (0.87) MMP9MMP2ITGB3ITGA2BADAMTS4
Hydrochloric Acid SCHEMBL11406948 0.86 MMP2 (0.56) MMP9MMP2ITGB3ITGA2BMMP8
Hydrochloric Acid SCHEMBL920895 0.86 MMP2 (0.56) MMP9MMP2ITGB3ITGA2BMMP8
Hydrochloric Acid SCHEMBL15537019 0.85 MMP2 (0.55) MMP9MMP2ITGB3ITGA2BMMP8

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 8 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-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20200101166-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-04-02 US disclosed
US-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2020-03-26 US disclosed
US-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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 (7 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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 MMP9 521/4885MMP2 538/4885ITGB3 2592/4885
US-11197933-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRM1, OPRK1, OPRL1 MMP9 1210/4885MMP2 874/4885ITGB3 1963/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 MMP9 521/4885MMP2 538/4885ITGB3 2592/4885
US-20200101166-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRL1 MMP9 1210/4885MMP2 874/4885ITGB3 1963/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 MMP9 521/4885MMP2 538/4885ITGB3 2592/4885
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 MMP9 997/4885MMP2 1116/4885ITGB3 3041/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 MMP9 521/4885MMP2 538/4885ITGB3 2592/4885

“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.