SCHEMBL684225

SCHEMBL684225

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
NOS2 P35228 1/20 0.39
AVPR1A P37288 1/20 0.38
GAA P10253 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CA2 P00918 1/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 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
SCHEMBL14295177 0.82 HTRA1 (0.43) ACACBNOS2GAASLC6A2SLC6A3
SCHEMBL12188588 0.77 ACACB (0.48) ACACBNOS2SLC6A2SLC6A3CA2
SCHEMBL14950914 0.77 ACACB (0.48) ACACBNOS2SLC6A2SLC6A3CA2
SCHEMBL13323474 0.77 ACACB (0.48) ACACBNOS2SLC6A2SLC6A3CA2
SCHEMBL5746278 0.75 ACACB (0.57) ACACBNOS2SLC6A2SLC6A3CA2
SCHEMBL684166 0.74 ALDH1A1 (0.41) ACACBNOS2AVPR1ASLC6A2SLC6A3
SCHEMBL6333893 0.74 PPARA (0.50) CA2PPARGPPARAKMT2AALDH1A1
SCHEMBL13323478 0.74 ACACB (0.49) ACACBNOS2GAASLC6A2SLC6A3
SCHEMBL684443 0.74 ACACB (0.49) ACACBNOS2GAASLC6A2SLC6A3
SCHEMBL27973851 0.74 FOLH1 (0.49) CA2MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ACACB 3204/4885NOS2 2223/4885AVPR1A 3485/4885

“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.