SCHEMBL3137016

SCHEMBL3137016

O=CCC(CC=O)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
CNR2 P34972 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
AOC3 Q16853 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL27746045 0.84 CNR1 (0.44) HDAC4HDAC7HDAC5
SCHEMBL27746043 0.84 CNR1 (0.44) HDAC4HDAC7HDAC5
SCHEMBL6425368 0.81 HDAC4 (0.41) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL28595236 0.81 HDAC4 (0.40) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL13141122 0.78 HDAC4 (0.41) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL3829073 0.78 OPRM1 (0.47) AOC3
SCHEMBL2169566 0.77 ALDH1A1 (0.44) IDO1TDO2MGAMGAASI
SCHEMBL3136328 0.75 GABBR2 (0.43) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL6339476 0.75 PPARG (0.39) HDAC4HDAC7HDAC5CNR2IDO1
SCHEMBL3140559 0.74 CYP2D6 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 HDAC4 1424/4885HDAC7 1949/4885HDAC5 158/4885

“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.