SCHEMBL6400522

SCHEMBL6400522

O=C(O)[C@H](O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
CES2 O00748 5/20 0.42
CES1 P23141 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL6400526 1.00 PDE2A (0.47) PDE2AIDO1TDO2CES2CES1
SCHEMBL6400520 1.00 PDE2A (0.47) PDE2AIDO1TDO2CES2CES1
SCHEMBL8974847 0.86 PDE2A (0.60) PDE2ACES2CES1AKR1C3AKR1C2
SCHEMBL8974843 0.86 PDE2A (0.60) PDE2ACES2CES1AKR1C3AKR1C2
SCHEMBL6679457 0.83 CES2 (0.51) PDE2ACES2CES1MEN1KMT2A
SCHEMBL6679460 0.83 CES2 (0.51) PDE2ACES2CES1MEN1KMT2A
SCHEMBL6701810 0.83 CES2 (0.51) PDE2ACES2CES1MEN1KMT2A
SCHEMBL16829661 0.81 PDE2A (0.50) PDE2ACES2CES1MEN1KMT2A
SCHEMBL12388640 0.80 PDE2A (0.55) PDE2AIDO1TDO2CES2CES1
SCHEMBL6681467 0.79 CES2 (0.51) PDE2ACES2CES1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921758-B2 Amino acid derivatives ASTRAZENECA AB (SE) 2005-07-26 US disclosed
US-20040087647-A1 NEW AMINO ACID DERIVATIVES ASTRAZENECA AB 2004-05-06 US disclosed
US-6617320-B2 Protease inhibitor; anticoagulants ASTRAZENECA AB (SE) 2003-09-09 US disclosed
EP-0836615-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRAZENECA AB (SE) 2003-04-23 EP disclosed
US-20020042396-A1 Amino acid derivatives ASTRA AB 2002-04-11 US disclosed
US-6051568-A Thrombin inhibitors, their preparation and use ASTRA AKTIEBOLAG (SE) 2000-04-18 US disclosed
EP-0836615-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE Astra Aktiebolag (SE) 1998-04-22 EP disclosed
WO-1997002284-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRA AKTIEBOLAG (SE) 1997-01-23 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 (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-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 PDE2A 4348/4885IDO1 1144/4885TDO2 540/4885
US-20040087647-A1 NEW AMINO ACID DERIVATIVES F2, ANPEP, PEPD PDE2A 3358/4885IDO1 1036/4885TDO2 740/4885

“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.