SCHEMBL680893

SCHEMBL680893

CC(C)C(=O)[C@@H](Cc1ccc(Cl)cc1)NCC(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPY5R Q15761 1/20 0.38
MAOB P27338 1/20 0.38
AVPR1A P37288 3/20 0.37
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.36
FPR2 P25090 1/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL684166 0.86 ALDH1A1 (0.41) ACACBRAB9AALDH1A1HTTSLC6A2
SCHEMBL20282831 0.84 ALDH1A1 (0.39) ACACBRAB9AALDH1A1HTTNPY5R
SCHEMBL680880 0.81 GAA (0.44) ACACBALDH1A1HTTSLC6A2SLC6A3
SCHEMBL681837 0.79 ACACB (0.42) ACACBALDH1A1HTTSLC6A2SLC6A3
SCHEMBL12168671 0.78 PYGL (0.39) ACACBRAB9AALDH1A1HTTSLC6A2
SCHEMBL681500 0.78 SLC6A2 (0.46) ACACBRAB9AALDH1A1SLC6A2SLC6A3
SCHEMBL22622560 0.77 AVPR1A (0.33) AVPR1ASMN1; SMN2
SCHEMBL20892764 0.77 ACACB (0.44) ACACBRAB9AALDH1A1SLC6A2SLC6A3
SCHEMBL680890 0.77 ACACB (0.44) ACACBRAB9AALDH1A1SLC6A2SLC6A3
SCHEMBL17804037 0.77 ALDH1A1 (0.40) ACACBRAB9AALDH1A1HTTSLC6A2

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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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 (5 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 ACACB 3006/4885RAB9A 1697/4885ALDH1A1 2098/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885RAB9A 1810/4885ALDH1A1 1715/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885RAB9A 1810/4885ALDH1A1 1715/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885RAB9A 1810/4885ALDH1A1 1715/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885RAB9A 1810/4885ALDH1A1 1715/4885

“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.