SCHEMBL13601895

SCHEMBL13601895

CC(=O)OCC(OC(C)=O)[C@@H](COC(C)=O)OCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
BLM P54132 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
VCP P55072 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
PDE3A Q14432 1/20 0.58
PNP P00491 7/20 0.54
HBB P68871 2/20 0.54
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
EDNRA P25101 1/20 0.54
HTR2A P28223 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL13601896 0.91 MEN1 (0.52) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9583727 0.88 BLM (0.72) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL23352541 0.85 HPRT1 (0.52) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL10436186 0.85 MEN1 (0.68) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL5555694 0.85 PDE3A (0.79) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9828023 0.84 MEN1 (0.67) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL10481456 0.84 PNP (0.60) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL10554977 0.84 PNP (0.60) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL9828664 0.83 PDE3A (0.68) MEN1KMT2ABLMALDH1A1LMNA
SCHEMBL23710644 0.82 PDE3A (0.56) MEN1KMT2ABLMALDH1A1LMNA

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-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION UNIVERSIDAD NACIONAL DE QUILMES (AR) 2009-12-31 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-20090324708-A1 COMPOUND HAVING INHIBITORY ACTIVITY ON A RHO-GTPASE CELL PROTEIN, A PROCESS FOR OBTAINING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THEREOF AND A METHOD FOR THE TREATMENT OF RHO-GTPASE CELL PROTEIN-MEDIATED CONDITION RHOA, ARHGDIA, ARHGDIB MEN1 2952/4885KMT2A 4143/4885BLM 4864/4885

“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.