SCHEMBL714522

SCHEMBL714522

CCOC(=O)[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.53
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
SYK P43405 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR2 P41597 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
PDE4B Q07343 1/20 0.41
TACR1 P25103 2/20 0.41
CTSL P07711 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL714949 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL713199 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL716516 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL715808 1.00 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4265690 0.93 CPB1 (0.55) CPB1ALDH1A1GAATSHRSYK
SCHEMBL715267 0.92 CPB1 (0.60) CPB1ALDH1A1GAATSHRSYK
SCHEMBL714564 0.92 CPB1 (0.60) CPB1ALDH1A1GAATSHRSYK
SCHEMBL1504068 0.89 ALDH1A1 (0.58) CPB1ALDH1A1GAATSHRSYK
SCHEMBL10476662 0.89 ALDH1A1 (0.58) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4271202 0.88 TSHR (0.60) CPB1ALDH1A1GAATSHRSYK

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-20120053349-A1 OXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-01 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-20120053349-A1 OXAMIDE DERIVATIVE SULT1E1, PKD2, PKD1 CPB1 2328/4885ALDH1A1 299/4885GAA 3639/4885

“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.