SCHEMBL20008625

SCHEMBL20008625

CC(C)(C)c1c(OC(=O)c2ccccc2)ccc2cc(C(=N)N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 6/20 0.43
KLK1 P06870 6/20 0.43
PRSS1 P07477 4/20 0.43
F2 P00734 3/20 0.43
MAPT P10636 2/20 0.43
TMPRSS2 O15393 1/20 0.43
MLNR O43193 1/20 0.43
ALDH1A1 P00352 1/20 0.43
C1R P00736 1/20 0.43
F10 P00742 1/20 0.43
F12 P00748 1/20 0.43
LMNA P02545 1/20 0.43
ITGB3 P05106 1/20 0.43
HPN P05981 1/20 0.43
CHRM2 P08172 1/20 0.43
ITGA2B P08514 1/20 0.43
C1S P09871 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL20008704 0.83 PRSS1 (0.42) PLGKLK1PRSS1F2MAPT
SCHEMBL20008627 0.80 PRSS1 (0.47) PRSS1MAPTTMPRSS15TDP1L3MBTL1
SCHEMBL18720226 0.77 PLAU (0.44) PLGKLK1PRSS1F2MAPT
SCHEMBL7325783 0.75 PARP10 (0.43) PLGKLK1PRSS1F2MAPT
SCHEMBL7324570 0.75 MAPT (0.61) PRSS1MAPTTDP1L3MBTL1
SCHEMBL20008702 0.75 PRSS1 (0.47) PRSS1TMPRSS15TDP1L3MBTL1
SCHEMBL7337750 0.74 F12 (0.71) PLGKLK1PRSS1F2MAPT
SCHEMBL20012326 0.74 PLAU (0.34) PLGKLK1PRSS1F2MAPT
SCHEMBL7333430 0.73 PRSS1 (0.57) PRSS1F2MAPTF10F12
SCHEMBL7329213 0.73 ESR1 (0.52) PRSS1F2MAPTF10F12

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 PLG 1237/4885KLK1 3383/4885PRSS1 952/4885
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PLG 1237/4885KLK1 3383/4885PRSS1 952/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PLG 1237/4885KLK1 3383/4885PRSS1 952/4885
US-11154549-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 PLG 1237/4885KLK1 3383/4885PRSS1 952/4885

“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.