SCHEMBL18407331

SCHEMBL18407331

CC(C)(C)NC(=O)c1coc(C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
NLRP3 Q96P20 2/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TBXA2R P21731 1/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26795642 0.84 IRAK4 (0.40) IRAK4NLRP3CNR1HDAC1HDAC8
SCHEMBL159589 0.81 ALDH1A1 (0.40) NLRP3CNR2CNR1TBXA2RHDAC1
SCHEMBL22618722 0.80 NPC1 (0.40) IRAK4CNR1TBXA2RHDAC1HDAC8
SCHEMBL18232988 0.79 HDAC1 (0.42) NLRP3CNR2CNR1TBXA2RHDAC1
SCHEMBL23193123 0.79 IRAK4 (0.38) IRAK4CNR2CNR1HDAC1HDAC8
SCHEMBL20464221 0.79 HDAC6 (0.39) IRAK4CNR1TBXA2RHDAC1HDAC8
SCHEMBL8965333 0.78 KDM4E (0.35) IRAK4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL17281398 0.78 DAGLA (0.36) IRAK4ALDH1A1
SCHEMBL20462599 0.78 NPC1 (0.43) IRAK4TBXA2RALDH1A1LMNAMAOB
SCHEMBL77505 0.77 DAGLA (0.40) IRAK4NLRP3HDAC1HDAC8HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301255-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-05-28 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 US disclosed
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-01-26 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 (2 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-10301255-B2 Hepatitis B antiviral agents HAVCR2, ZC3HAV1, SLC10A1 IRAK4 3035/4885NLRP3 3204/4885CNR2 2387/4885
US-20170022150-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 IRAK4 3035/4885NLRP3 3204/4885CNR2 2387/4885

“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.