SCHEMBL679630

SCHEMBL679630

CC(C)NC[C@@H](C(=O)C(C)C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.41
EPHX2 P34913 1/20 0.41
ACACB O00763 1/20 0.40
PDE2A O00408 2/20 0.40
EPHX1 P07099 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 4/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
PTGS2 P35354 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
SCHEMBL684237 0.88 ALDH1A1 (0.47) ALDH1A1HPGDEPHX2ACACBPDE2A
SCHEMBL2738508 0.86 EPHX1 (0.48) ALDH1A1HPGDEPHX2ACACBPDE2A
SCHEMBL681686 0.86 ALDH1A1 (0.43) ALDH1A1HPGDEPHX2ACACBPDE2A
SCHEMBL12167817 0.83 ADRB2 (0.51) ALDH1A1SMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL681195 0.82 PSEN1 (0.40)
SCHEMBL679682 0.82 PSEN1 (0.40)
SCHEMBL680183 0.81 ALDH1A1 (0.46) ALDH1A1HPGDEPHX2PDE2APOLB
SCHEMBL680781 0.81 PDE2A (0.47) EPHX2PDE2A
SCHEMBL681229 0.81 CACNA1H (0.38) EPHX2PDE2APOLBTP53ADRB2
SCHEMBL12292512 0.81 ALDH1A1 (0.42) ALDH1A1HPGDEPHX2ACACBPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-11-05 US disclosed
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 (4 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 ALDH1A1 1715/4885HPGD 1065/4885EPHX2 2203/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HPGD 1065/4885EPHX2 2203/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HPGD 1065/4885EPHX2 2203/4885
US-20200345735-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ALDH1A1 1715/4885HPGD 1065/4885EPHX2 2203/4885

“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.