SCHEMBL20008699

SCHEMBL20008699

CC(C)(C)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
PRSS1 P07477 8/20 0.47
ACR P10323 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F2 P00734 3/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
KLK1 P06870 2/20 0.41
HGFAC Q04756 1/20 0.41
TMPRSS2 O15393 1/20 0.41
PARP10 Q53GL7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL18720203 1.00 KMT2A (0.48) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL20008697 0.85 PRSS1 (0.52) PRSS1ACRF2PRSS2PRSS3
SCHEMBL18720209 0.85 PRSS1 (0.52) PRSS1ACRF2PRSS2PRSS3
SCHEMBL10956570 0.85 KMT2A (0.56) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL26047455 0.84 KMT2A (0.52) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL11304528 0.83 KMT2A (0.44) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL11313907 0.83 PRSS1 (0.49) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL1996805 0.83 PRSS1 (0.60) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL7328271 0.83 ACR (0.58) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL11410222 0.82 SMN1; SMN2 (0.50) KMT2APRSS1ACRMEN1SMN1; SMN2

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 KMT2A 1946/4885PRSS1 952/4885ACR 4881/4885

“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.