SCHEMBL2084722

SCHEMBL2084722

O=C(CNC(=O)OCc1ccccc1)OC(=O)[C@]1(O)CCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.43
PREP P48147 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
ATM Q13315 1/20 0.40
CTSK P43235 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
SCHEMBL2082600 0.85 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTPREP
SCHEMBL71530 0.82 DDB1 (0.46) ALDH1A1KMT2ADDB1CRBN
SCHEMBL8907523 0.82 DDB1 (0.46) ALDH1A1KMT2ADDB1CRBN
SCHEMBL10641387 0.78 LMNA (0.61) ALDH1A1LMNASMN1; SMN2HTTCTSL
SCHEMBL10081124 0.73 LMNA (0.63) ALDH1A1LMNASMN1; SMN2HTTMEN1
SCHEMBL2228391 0.72 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2HTTPREP
SCHEMBL9768950 0.72 LMNA (0.54) ALDH1A1LMNASMN1; SMN2HTTCTSL
SCHEMBL19217969 0.71 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2HTTPREP
SCHEMBL2065470 0.71 SMN1; SMN2 (0.59) ALDH1A1LMNASMN1; SMN2HTTGAA
SCHEMBL19023356 0.71 DDB1 (0.49) ALDH1A1DDB1CRBN

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-7863304-B2 Analogs of glycyl-prolyl-glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-01-04 US disclosed
US-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate NEUREN PHARMACEUTICALS LIMITED (NZ) 2008-06-19 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-20080145335-A1 Analogs of Glycyl-Prolyl-Glutamate GLS, GLUL, HIF1A ALDH1A1 574/4885LMNA 2571/4885SMN1; SMN2 261/4885

“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.