SCHEMBL20008702

SCHEMBL20008702

CC(C)(C)Cc1cc(C(=N)N)ccc1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.47
TMPRSS15 P98073 11/20 0.47
ELANE P08246 5/20 0.45
NPSR1 Q6W5P4 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL20008683 0.84 PRSS1 (0.45) PRSS1TMPRSS15NPSR1
SCHEMBL20008704 0.82 PRSS1 (0.42) PRSS1TMPRSS15
SCHEMBL18720224 0.81 PRSS1 (0.43) PRSS1TMPRSS15ELANENPSR1AKR1C3
SCHEMBL20008627 0.81 PRSS1 (0.47) PRSS1TMPRSS15MEN1CYP3A4KMT2A
SCHEMBL20008701 0.81 PRSS1 (0.53) PRSS1TMPRSS15
SCHEMBL20008692 0.79 F10 (0.39) PRSS1TMPRSS15
SCHEMBL7324570 0.78 MAPT (0.61) PRSS1MEN1CYP3A4KMT2ATDP1
SCHEMBL7333430 0.76 PRSS1 (0.57) PRSS1TMPRSS15KMT2A
SCHEMBL7329213 0.76 ESR1 (0.52) PRSS1TMPRSS15KMT2A
SCHEMBL7330416 0.75 PRSS1 (0.61) PRSS1TMPRSS15NPSR1CYP3A4KMT2A

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 952/4885TMPRSS15 87/4885ELANE 2726/4885

“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.