SCHEMBL20008670

SCHEMBL20008670

CC(C)(C)Cc1cc(OC(=O)c2ccc(NC(=N)N)cc2)ccc1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
NR1H4 Q96RI1 5/20 0.39
KMT2A Q03164 3/20 0.39
ACR P10323 1/20 0.39
KLK1 P06870 2/20 0.39
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TMPRSS2 O15393 1/20 0.38
TMPRSS15 P98073 3/20 0.36
FTO Q9C0B1 1/20 0.36
F12 P00748 1/20 0.35

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
SCHEMBL20008677 0.89 KMT2A (0.39) PRSS1PRSS2PRSS3NR1H4KMT2A
SCHEMBL20008686 0.88 TMPRSS15 (0.47) PRSS1NR1H4KLK1TMPRSS2TMPRSS15
SCHEMBL20008665 0.84 PRSS1 (0.47) PRSS1PRSS2PRSS3NR1H4KMT2A
SCHEMBL20008669 0.81 NR1H4 (0.45) PRSS1PRSS2PRSS3NR1H4KLK1
SCHEMBL20008699 0.80 KMT2A (0.48) PRSS1PRSS2PRSS3KMT2AACR
SCHEMBL18720203 0.80 KMT2A (0.48) PRSS1PRSS2PRSS3KMT2AACR
SCHEMBL20008657 0.80 FTO (0.43) PRSS1PRSS2PRSS3KMT2AACR
SCHEMBL20008656 0.79 FTO (0.47) PRSS1PRSS2PRSS3KMT2AACR
SCHEMBL20008654 0.78 FTO (0.45) PRSS1PRSS2PRSS3KLK1TMPRSS2
SCHEMBL4752930 0.77 PRSS1 (0.61) PRSS1PRSS2PRSS3NR1H4KMT2A

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 952/4885PRSS2 665/4885PRSS3 646/4885

“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.