SCHEMBL20008652

SCHEMBL20008652

CC(C)(C)Cc1cc(NC(=N)N)ccc1C(=O)Oc1ccc2cc(C(=N)N)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 12/20 0.46
FTO Q9C0B1 1/20 0.45
F2 P00734 7/20 0.45
PRSS1 P07477 7/20 0.45
PLG P00747 6/20 0.45
PLAU P00749 6/20 0.45
KLKB1 P03952 5/20 0.45
F10 P00742 3/20 0.45
PLAT P00750 3/20 0.45
C1R P00736 2/20 0.45
KLK1 P06870 2/20 0.45
TMPRSS2 O15393 1/20 0.45
MLNR O43193 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ITGB3 P05106 1/20 0.45
HPN P05981 1/20 0.45
CHRM2 P08172 1/20 0.45
ITGA2B P08514 1/20 0.45
C1S P09871 1/20 0.45

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
SCHEMBL20008657 0.84 FTO (0.43) F12FTOF2PRSS1PLG
SCHEMBL20008659 0.82 FTO (0.49) F12FTOF2PRSS1PLG
SCHEMBL20008656 0.81 FTO (0.47) F12FTOF2PRSS1PLG
SCHEMBL7341009 0.81 F12 (0.50) F12FTOF2PRSS1PLG
SCHEMBL20008672 0.81 KDM4E (0.40) PRSS1KLK1TMPRSS2PRSS2PRSS3
SCHEMBL20008654 0.80 FTO (0.45) F12FTOF2PRSS1PLG
Nafamostat SCHEMBL29429445 0.79 PRSS1 (0.64) F12FTOF2PRSS1PLG
Nafamostat SCHEMBL135503 0.79 PRSS1 (0.64) F12FTOF2PRSS1PLG
Nafamostat SCHEMBL29429443 0.79 PRSS1 (0.64) F12FTOF2PRSS1PLG
Nafamostat SCHEMBL16069975 0.79 PRSS1 (0.64) F12FTOF2PRSS1PLG

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 F12 3544/4885FTO 338/4885F2 3807/4885

“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.