SCHEMBL19990976

SCHEMBL19990976

CC(=O)C(=O)Oc1cccc(C(=N)N)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.60
PRSS2 P07478 2/20 0.60
PRSS3 P35030 2/20 0.60
F2 P00734 9/20 0.51
F10 P00742 5/20 0.51
PLG P00747 1/20 0.49
C1S P09871 1/20 0.49

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
SCHEMBL29182120 0.81 AKR1C3 (0.58)
SCHEMBL3769909 0.80 PRSS1 (0.55) PRSS1PRSS2PRSS3F2
SCHEMBL4144843 0.78 PRSS1 (0.57) PRSS1PRSS2PRSS3F2F10
SCHEMBL11409405 0.78 PRSS1 (0.53) PRSS1PRSS2PRSS3F2
SCHEMBL3316767 0.76 PRSS1 (0.54) PRSS1PRSS2PRSS3F2F10
SCHEMBL428920 0.75 PRSS1 (1.00) PRSS1PRSS2PRSS3F2F10
Hydrochloric Acid SCHEMBL23541004 0.74 PRSS1 (0.96) PRSS1PRSS2PRSS3F2F10
SCHEMBL11556061 0.74 LMNA (0.72)
SCHEMBL4928156 0.74 CYP3A4 (0.72)
SCHEMBL4453562 0.74 CES2 (0.53) PRSS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054479-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2022-02-24 US disclosed
US-11154549-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-10-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 PRSS1 952/4885PRSS2 665/4885PRSS3 646/4885
US-20220054479-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885PRSS2 665/4885PRSS3 646/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885PRSS2 665/4885PRSS3 646/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885PRSS2 665/4885PRSS3 646/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885PRSS2 665/4885PRSS3 646/4885

“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.