SCHEMBL19097922

SCHEMBL19097922

CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H](C(=O)O)C1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
PDE4B Q07343 3/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR1 P25103 2/20 0.37
RORC P51449 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
RECQL P46063 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
SCHEMBL13068627 1.00 NR1H2 (0.55) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL17643760 0.89 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL1933168 0.89 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL1933164 0.89 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL17631559 0.89 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL9991418 0.89 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2NAMPT
SCHEMBL6961673 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2MEN1
SCHEMBL6961671 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2MEN1
SCHEMBL6961675 0.88 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2MEN1
SCHEMBL2930155 0.87 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2NAMPT

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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 NR1H2 703/4885PDE4B 994/4885USP2 830/4885

“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.