SCHEMBL810808

SCHEMBL810808

CCCC(=O)C(N)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CTSD P07339 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FFAR3 O14843 3/20 0.33
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL27809918 0.84 CES2 (0.50) ZDHHC7CES2CES1
SCHEMBL28145233 0.84 CES2 (0.50) ZDHHC7CES2CES1
SCHEMBL22262071 0.84 CES2 (0.50) ZDHHC7CES2CES1
SCHEMBL27606030 0.84 CES2 (0.50) ZDHHC7CES2CES1
SCHEMBL27455274 0.84 CES2 (0.50) ZDHHC7CES2CES1
SCHEMBL28178115 0.83 CES2 (0.48) ZDHHC7CES2CES1
SCHEMBL27545226 0.83 CES2 (0.48) ZDHHC7CES2CES1
SCHEMBL28143862 0.83 CES2 (0.48) ZDHHC7CES2CES1
SCHEMBL20603231 0.83 ALOX15 (0.41) CTSDALDH1A1CES2CES1HDAC3
SCHEMBL17227438 0.82 CA1 (0.38) CA1CA2ZDHHC7ALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CA1 4871/4885CA2 4753/4885CTSD 785/4885

“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.