SCHEMBL428554

SCHEMBL428554

CC(=O)Nc1ccc(OC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
MEN1 O00255 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
OPRK1 P41145 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL426347 0.87 KMT2A (0.51) KMT2AMEN1SMN1; SMN2HSD17B10NPSR1
SCHEMBL1996277 0.85 PDE4A (0.48) KMT2AMEN1SMN1; SMN2HSD17B10LMNA
SCHEMBL427933 0.85 KMT2A (0.49) KMT2AMEN1SMN1; SMN2HSD17B10NPSR1
SCHEMBL422235 0.85 KMT2A (0.58) KMT2AMEN1SMN1; SMN2HSD17B10NPSR1
SCHEMBL425278 0.82 KMT2A (0.46) KMT2AMEN1SMN1; SMN2HSD17B10NPSR1
SCHEMBL27844553 0.80 PDE4A (0.43) KMT2ACYP1A2LMNATDP1ALDH1A1
SCHEMBL27844555 0.80 PDE4A (0.43) KMT2ACYP1A2LMNATDP1ALDH1A1
SCHEMBL6726577 0.78 PDE4A (0.48) HSD17B10CYP1A2LMNATDP1ALDH1A1
Mannitol SCHEMBL28233068 0.78 KMT2A (0.67) KMT2AMEN1SMN1; SMN2HSD17B10CYP1A2
SCHEMBL16788260 0.76 KMT2A (0.55) KMT2AMEN1SMN1; SMN2CYP1A2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722864-B2 Glycosylated acetaminophen pro-drug analogs NuTek Pharma Ltd. (US) 2014-05-13 US disclosed
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG NuTek Pharma Ltd. 2013-08-22 US disclosed
US-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs NuTek Pharma Ltd. 2012-01-26 US disclosed
WO-2012012339-A2 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG ANALOGS NuTek Pharma Ltd. (US) 2012-01-26 WO 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 (2 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-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs UGT1A3, GCG, UGT1A1 KMT2A 4128/4885MEN1 4056/4885SMN1; SMN2 4141/4885
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG UGT1A3, GCG, UGGT1 KMT2A 4023/4885MEN1 4207/4885SMN1; SMN2 4214/4885

“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.