SCHEMBL8229151

SCHEMBL8229151

CCOC(=O)C(O)c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9366709 0.85 MAPT (0.49) CES2CES1MAPTPOLBRAB9A
SCHEMBL31192692 0.84 APLNR (0.42) CES2CES1MAPTRAB9AALDH1A1
SCHEMBL10351810 0.84 FFAR1 (0.45) MAPTRAB9APTGS2NPC1MEN1
SCHEMBL8595608 0.83 CES2 (0.58) CES2CES1MAPTPOLBRAB9A
SCHEMBL6400373 0.83 CES2 (0.58) CES2CES1MAPTPOLBRAB9A
SCHEMBL31294766 0.83 CES2 (0.44) CES2CES1MAPTPOLBRAB9A
SCHEMBL16809480 0.83 PTGS1 (0.42) CES2CES1MAPTPOLBRAB9A
SCHEMBL19183203 0.83 MAPT (0.44) CES2CES1MAPTPOLBRAB9A
SCHEMBL17168993 0.83 MAPT (0.44) CES2CES1MAPTPOLBRAB9A
SCHEMBL5084280 0.81 PTGS1 (0.38) CES2CES1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 WO disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CES2 2499/4885CES1 3720/4885MAPT 1773/4885

“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.