SCHEMBL20008668

SCHEMBL20008668

CC(C)(C)CC(C(=O)O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PRSS1 P07477 8/20 0.42
ACR P10323 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 2/20 0.40
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TMPRSS15 P98073 4/20 0.38
F7 P08709 2/20 0.38
F10 P00742 1/20 0.38
PRSS2 P07478 1/20 0.38
F3 P13726 1/20 0.38
PRSS3 P35030 1/20 0.38
F2 P00734 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20008688 0.88 CPN1 (0.52) PRSS1ACRCPN1CPB2PARP10
SCHEMBL20008666 0.84 PRSS1 (0.43) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL1645315 0.84 MAPT (0.51) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL1399029 0.83 KMT2A (0.44) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL9053565 0.82 NR1H4 (0.48) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL9229509 0.82 NR1H4 (0.48) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL7309972 0.81 MAPT (0.47) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL1399027 0.80 PRSS1 (0.43) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL10956570 0.79 KMT2A (0.56) KMT2APRSS1ACRMEN1SMN1; SMN2
SCHEMBL20008699 0.79 KMT2A (0.48) 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.