SCHEMBL18580653

SCHEMBL18580653

COC(=O)C1CN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.36
LPL P06858 1/20 0.36
ROCK1 Q13464 1/20 0.36
NOTUM Q6P988 3/20 0.36
PDK2 Q15119 2/20 0.35
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.34
HIF1A Q16665 3/20 0.33
DGAT1 O75907 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HSD11B1 P28845 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3374553 0.91 NOTUM (0.46) NOTUMPDK2MAPTHSD11B1MEN1
SCHEMBL3448923 0.89 NOTUM (0.39) NOTUMPDK2MAPTHSD11B1ALDH1A1
SCHEMBL18580666 0.87 LGMN (0.42) LIPGLPLROCK1NOTUMPDK2
SCHEMBL17027126 0.86 NOTUM (0.46) LIPGLPLROCK1NOTUM
SCHEMBL18580791 0.83 NOTUM (0.36) NOTUMNAMPTMAPTDGAT1USP30
SCHEMBL18581086 0.83 HSP90AA1 (0.38) NOTUMNAMPTMAPTHIF1ADGAT1
SCHEMBL13420961 0.80 NOTUM (0.60) NOTUM
SCHEMBL25965934 0.79 LIPG (0.40) LIPGLPLROCK1
SCHEMBL19464248 0.78 LIPG (0.42) LIPGLPLROCK1
SCHEMBL2379981 0.78 LIPG (0.42) LIPGLPLROCK1

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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 LIPG 4814/4885LPL 4774/4885ROCK1 2239/4885

“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.