SCHEMBL20008627

SCHEMBL20008627

CC(C)(C)c1cc(C(=N)N)ccc1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.47
TMPRSS15 P98073 11/20 0.47
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
PARP10 Q53GL7 1/20 0.43
TNF P01375 1/20 0.43
KLF5 Q13887 1/20 0.43
NOD1 Q9Y239 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20008631 0.82 KMT2A (0.49) PRSS1TMPRSS15TDP1ATML3MBTL1
SCHEMBL4335496 0.82 NR1H4 (0.50) TDP1ATML3MBTL1MAPTPARP10
SCHEMBL7324570 0.81 MAPT (0.61) PRSS1TDP1L3MBTL1MAPTKMT2A
SCHEMBL20008702 0.81 PRSS1 (0.47) PRSS1TMPRSS15TDP1L3MBTL1KMT2A
SCHEMBL20008625 0.80 PLG (0.43) PRSS1TMPRSS15TDP1L3MBTL1MAPT
SCHEMBL20012325 0.80 NR1H4 (0.43) TDP1ATML3MBTL1MAPTKMT2A
SCHEMBL6674203 0.80 ESR1 (0.57) TDP1ATML3MBTL1MAPTKMT2A
SCHEMBL8844966 0.80 TDP1 (0.60) TDP1ATML3MBTL1MAPTTNF
SCHEMBL11392449 0.80 MAPT (0.49) TDP1ATML3MBTL1MAPTKMT2A
Benzamide SCHEMBL21771957 0.80 TDP1 (0.54) PRSS1TDP1ATML3MBTL1MAPT

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-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
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 (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-20200093817-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885TMPRSS15 87/4885TDP1 1454/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885TMPRSS15 87/4885TDP1 1454/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885TMPRSS15 87/4885TDP1 1454/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PRSS1 952/4885TMPRSS15 87/4885TDP1 1454/4885

“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.