SCHEMBL142914

SCHEMBL142914

CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)O)[C@@]1(CO)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
EPHX1 P07099 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
HCRTR2 O43614 1/20 0.33
CACNA1H O95180 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL143469 0.87 DRD2 (0.36) DRD2KMT2AMEN1ALDH1A1TSHR
SCHEMBL143099 0.86 KMT2A (0.35) DRD2KMT2AMEN1ALDH1A1TSHR
SCHEMBL139801 0.80 DRD2 (0.38) DRD2KMT2AMEN1ALDH1A1TSHR
SCHEMBL144799 0.76 DRD2 (0.35) DRD2KMT2AMEN1ALDH1A1TSHR
SCHEMBL141254 0.74 DRD2 (0.41) DRD2KMT2AMEN1CKS1BSKP1
SCHEMBL142693 0.74 DRD2 (0.41) DRD2KMT2AMEN1CKS1BSKP1
SCHEMBL4477979 0.71
SCHEMBL142159 0.69 CTSK (0.38) DRD2KMT2AMEN1ALDH1A1TSHR
SCHEMBL141209 0.69 CTSK (0.38) DRD2KMT2AMEN1ALDH1A1TSHR
SCHEMBL18035527 0.69 KDM4E (0.49) DRD2KMT2AMEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 DRD2 198/4885KMT2A 4780/4885MEN1 3668/4885

“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.