SCHEMBL20008695

SCHEMBL20008695

CC(C)(C)Cc1ccc(OC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.52
F12 P00748 5/20 0.52
PLG P00747 4/20 0.52
F2 P00734 3/20 0.52
TMPRSS2 O15393 1/20 0.52
MLNR O43193 1/20 0.52
ALDH1A1 P00352 1/20 0.52
C1R P00736 1/20 0.52
F10 P00742 1/20 0.52
LMNA P02545 1/20 0.52
ITGB3 P05106 1/20 0.52
HPN P05981 1/20 0.52
KLK1 P06870 1/20 0.52
CHRM2 P08172 1/20 0.52
ITGA2B P08514 1/20 0.52
C1S P09871 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL18720221 0.94 F12 (0.60) PRSS1F12PLGF2TMPRSS2
SCHEMBL18720209 0.89 PRSS1 (0.52) PRSS1F2TMPRSS2KLK1ST14
SCHEMBL20008697 0.89 PRSS1 (0.52) PRSS1F2TMPRSS2KLK1ST14
SCHEMBL21119465 0.87 F12 (0.53) PRSS1F12PLGF2TMPRSS2
SCHEMBL21119466 0.84 TMPRSS15 (0.47) PRSS1F2TMPRSS15
SCHEMBL20008659 0.79 FTO (0.49) PRSS1F12PLGF2TMPRSS2
SCHEMBL18720203 0.79 KMT2A (0.48) PRSS1PLGF2TMPRSS2ALDH1A1
SCHEMBL20008699 0.79 KMT2A (0.48) PRSS1PLGF2TMPRSS2ALDH1A1
SCHEMBL20008708 0.79 F12 (0.60) PRSS1F12PLGF2TMPRSS2
SCHEMBL20008705 0.78 PLAU (0.61) PRSS1F12PLGF2TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 PRSS1 952/4885F12 3544/4885PLG 1237/4885

“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.