SCHEMBL5378913

SCHEMBL5378913

CC(C)(C)C(O)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
AOC3 Q16853 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ACHE P22303 1/20 0.40
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL2420728 0.82 CES2 (0.49) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL11603896 0.81 CES2 (0.55) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL9667227 0.79 CES2 (0.50) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL18067545 0.79 AOC3 (0.45) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL21199163 0.79 SLC6A2 (0.45) CES2CES1HDAC4HDAC7HDAC5
SCHEMBL15199515 0.79 CES2 (0.42) CES2CES1AOC3SLC6A2SLC6A4
SCHEMBL14443273 0.78 ADRB1 (0.58) SLC6A4ACHE
SCHEMBL10415544 0.78 ACP3 (0.44) AOC3ACHE
SCHEMBL22702016 0.78 CYP3A4 (0.44) AOC3SLC6A2SLC6A4
SCHEMBL12261681 0.78 AOC3 (0.47) CES2CES1HDAC4HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 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 (3 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 CES2 2583/4885CES1 2759/4885HDAC4 4084/4885
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA CES2 2929/4885CES1 1459/4885HDAC4 3314/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 CES2 2748/4885CES1 1474/4885HDAC4 3364/4885

“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.