SCHEMBL2162603

SCHEMBL2162603

CCCC(=O)C(=O)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G2A P14555 3/20 0.46
PLA2G5 P39877 3/20 0.46
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
FFAR3 O14843 3/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC6 Q9UBN7 1/20 0.37
CTSK P43235 1/20 0.37
CTSD P07339 1/20 0.36
TSHR P16473 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
SCHEMBL19459869 0.83 PLA2G2A (0.67) CES2CES1MEN1FAAHMAPK1
SCHEMBL15223618 0.80 PLA2G2A (0.50) CES2CES1FAAHPLA2G2APLA2G5
SCHEMBL13267347 0.80 MEN1 (0.40) MEN1FAAHMAPK1KMT2APLA2G2A
SCHEMBL15222246 0.79 CA1 (0.50) MEN1FAAHMAPK1KMT2APLA2G2A
SCHEMBL28422625 0.77 MEN1 (0.44) CES2CES1MEN1FAAHMAPK1
SCHEMBL27835829 0.77 MEN1 (0.44) CES2CES1MEN1FAAHMAPK1
SCHEMBL21264093 0.77 CES2 (0.46) CES2CES1MEN1FAAHMAPK1
SCHEMBL19460310 0.76 PLA2G2A (0.35) MEN1FAAHMAPK1KMT2APLA2G2A
SCHEMBL827836 0.75
SCHEMBL5208837 0.74 MEN1 (0.50) CES2CES1MEN1FAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951058-B2 Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) 2018-04-24 US disclosed
US-9790197-B2 Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) 2017-10-17 US disclosed
US-9790197-B2 Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) 2017-10-17 US disclosed
US-20130281455-A1 Phenylpyri(mi)dinylazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-24 US disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 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-20130281455-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CES2 2485/4885CES1 2627/4885MEN1 1254/4885
US-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN CES2 2485/4885CES1 2627/4885MEN1 1254/4885

“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.