SCHEMBL3394504

SCHEMBL3394504

CC(C)(O)CNC[C@@H](C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 2/20 0.40
MEN1 O00255 1/20 0.40
FFAR2 O15552 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
P2RX7 Q99572 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
BRD4 O60885 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL3396222 1.00 POLB (0.47) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL3394510 1.00 POLB (0.47) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL3398082 0.86 L3MBTL1 (0.51) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL684323 0.78 BRD4 (0.44) POLBCYP2C9CYP2C19FFAR2L3MBTL1
SCHEMBL2738682 0.77 SLC6A4 (0.39) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL680697 0.75 FFAR2 (0.41) POLBKMT2AMEN1FFAR2L3MBTL1
SCHEMBL22288404 0.75 POLB (0.55) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL16625002 0.75 POLB (0.55) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL191373 0.75 AKT1 (0.48) POLBCYP2C9CYP2C19KMT2ACYP2D6
SCHEMBL191372 0.75 AKT1 (0.48) POLBCYP2C9CYP2C19KMT2ACYP2D6

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-20160152574-A9 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2016-06-02 US disclosed
US-20140357644-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-12-04 US disclosed
US-8835434-B2 Hydroxylated pyrimidyl cyclopentanes as akt protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-16 US disclosed
EP-2247578-B1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-05-22 EP disclosed
US-20110065716-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-17 US disclosed
EP-2247578-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-11-10 EP disclosed
WO-2009089459-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (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-20140357644-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 POLB 515/4885CYP2C9 1808/4885CYP2C19 1229/4885
US-20110065716-A1 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 POLB 464/4885CYP2C9 2022/4885CYP2C19 1293/4885
US-20160152574-A9 HYDROXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 POLB 515/4885CYP2C9 1808/4885CYP2C19 1229/4885

“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.