SCHEMBL20516428

SCHEMBL20516428

O=C1NC(Cc2ccc(C(F)(F)F)cc2)C(=O)N1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
PPARG P37231 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDH1 O75874 1/20 0.39
DAO P14920 3/20 0.38
AADAT Q8N5Z0 2/20 0.38
GAA P10253 1/20 0.37
KIF11 P52732 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
SCHEMBL20516425 1.00 CES2 (0.42) CES2PPARGHDAC1HDAC6IDH1
SCHEMBL20516445 0.79 GAA (0.54) HDAC1HDAC6GAA
SCHEMBL20516443 0.79 GAA (0.54) HDAC1HDAC6GAA
SCHEMBL7623748 0.73 CES2 (0.47) CES2HDAC1HDAC6GAAKIF11
SCHEMBL20516417 0.73 CES2 (0.44) CES2HDAC1HDAC6GAA
SCHEMBL20516416 0.73 CES2 (0.44) CES2HDAC1HDAC6GAA
SCHEMBL7620532 0.72 CES2 (0.43) CES2HDAC1HDAC6GAAKIF11
SCHEMBL22901963 0.72 TRPM8 (0.38) CES2PPARGHDAC1HDAC6
SCHEMBL3554150 0.70 HDAC6 (0.67) CES2HDAC1HDAC6GAA
SCHEMBL3554155 0.70 HDAC6 (0.67) CES2HDAC1HDAC6GAA

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-10336709-B2 Lp-PLA2 inhibitors ABIDE THERAPEUTICS, INC (US) 2019-07-02 US disclosed
US-20180282288-A1 LP-PLA2 INHIBITORS H. LUNDBECK A/S (DK) 2018-10-04 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-20180282288-A1 LP-PLA2 INHIBITORS PLA2G12A, PLA2G12B, PLA2G4B CES2 1143/4885PPARG 502/4885HDAC1 1289/4885
US-10336709-B2 Lp-PLA2 inhibitors PLA2G12A, PLA2G12B, PLA2G1B CES2 1176/4885PPARG 494/4885HDAC1 1457/4885

“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.