SCHEMBL3199166

SCHEMBL3199166

O=[C]C(=O)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.60
CES1 P23141 3/20 0.60
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 1/20 0.56
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
PTPN1 P18031 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.44
KAT6A Q92794 1/20 0.43
ALB P02768 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL10672076 0.83 ALDH1A1 (0.48) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL19332963 0.80 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL6934144 0.80 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL8975156 0.77 CES2 (0.54) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2156696 0.75 CES2 (1.00) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30293901 0.75 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL250099 0.75 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL3398637 0.74 CES2 (0.62) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL6062757 0.74 CES2 (0.62) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL8378855 0.74 CES2 (0.62) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO 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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 CES2 3088/4885CES1 1415/4885ALDH1A1 407/4885

“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.