SCHEMBL684443

SCHEMBL684443

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FPR2 P25090 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CA2 P00918 2/20 0.40
SLC6A4 P31645 1/20 0.40
CA1 P00915 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
NOS2 P35228 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL13323478 1.00 ACACB (0.49) ACACBSLC6A2SLC6A3GAAKMT2A
SCHEMBL680890 0.85 ACACB (0.44) ACACBSLC6A2SLC6A3GAAKMT2A
SCHEMBL20892764 0.85 ACACB (0.44) ACACBSLC6A2SLC6A3GAAKMT2A
SCHEMBL10078064 0.85 ESR1 (0.53) SLC6A2GAASMN1; SMN2
SCHEMBL12871196 0.84 NOS2 (0.52) ACACBSLC6A2SLC6A3GAAFPR2
SCHEMBL23306932 0.83 NPC1 (0.43) RAB9ALMNACA2
SCHEMBL12188588 0.83 ACACB (0.48) ACACBSLC6A2SLC6A3KMT2AMEN1
SCHEMBL13233695 0.83 LMNA (0.53) RAB9ALMNAALDH1A1
SCHEMBL13323474 0.83 ACACB (0.48) ACACBSLC6A2SLC6A3KMT2AMEN1
SCHEMBL16252309 0.83 LMNA (0.53) RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 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-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7709484-B1 Substituted melanocortin receptor-specific piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-05-04 US disclosed
US-7709484-B1 Substituted melanocortin receptor-specific piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-05-04 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 3006/4885SLC6A2 3273/4885SLC6A3 2542/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885SLC6A2 3153/4885SLC6A3 2538/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885SLC6A2 3153/4885SLC6A3 2538/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885SLC6A2 3153/4885SLC6A3 2538/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 ACACB 3204/4885SLC6A2 3153/4885SLC6A3 2538/4885

“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.