Sugi Predict

Sugi Predict / Compounds / SCHEMBL680756

SCHEMBL680756

SCHEMBL680756

CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 4/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ HDAC8 Q9BY41 1/20 0.40
▸ AKR1C3 P42330 6/20 0.39
▸ AKR1C2 P52895 6/20 0.39
▸ AKR1B10 O60218 2/20 0.39
▸ AKR1C4 P17516 2/20 0.39
▸ AKR1C1 Q04828 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ADRB2 P07550 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 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
SCHEMBL680749 0.90 PDE2A (0.41) AKT1RPS6KB1AKR1C3AKR1C2TRPV1
SCHEMBL684518 0.88 AKT1 (0.48) AKT1RPS6KB1HDAC8AKR1C3AKR1C2
SCHEMBL681710 0.87 AKT1 (0.45) AKT1RPS6KB1HDAC8AKR1C3AKR1C2
SCHEMBL2738398 0.87 AKT1 (0.52) AKT1RPS6KB1HDAC8AKR1C3AKR1C2
SCHEMBL681228 0.86 AKT1 (0.48) AKT1RPS6KB1AKR1C3AKR1C2AKR1B10
SCHEMBL680927 0.85 PDPK1 (0.44) KDM4EPOLBMAPTBLMTDP1
SCHEMBL12168527 0.83 ADRB2 (0.39) AKT1AKR1C3AKR1C2KDM4EPOLB
SCHEMBL681229 0.81 CACNA1H (0.38) KDM4EPOLBMAPTBLMTDP1
SCHEMBL12168522 0.80 LMNA (0.43) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL679682 0.80 PSEN1 (0.40) AKR1C3AKR1C2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 — — US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 — — 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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885RPS6KB1 237/4885HDAC8 2742/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885RPS6KB1 237/4885HDAC8 2742/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885RPS6KB1 237/4885HDAC8 2742/4885

“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.