SCHEMBL422235

SCHEMBL422235

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
MEN1 O00255 5/20 0.58
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
OPRK1 P41145 2/20 0.46
TSHR P16473 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL428554 0.85 KMT2A (0.54) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL427933 0.83 KMT2A (0.49) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL426347 0.82 KMT2A (0.51) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL29714885 0.82 KMT2A (0.62) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL425278 0.78 KMT2A (0.46) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL14808444 0.75 KMT2A (1.00) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
Diacetamate SCHEMBL863106 0.73 KMT2A (0.81) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL8660091 0.73 MEN1 (0.61) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL27816274 0.72 KMT2A (0.78) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2
SCHEMBL10121453 0.71 KMT2A (0.55) KMT2AMEN1NPSR1HSD17B10SMN1; SMN2

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 4056/4885NPSR1 344/4885
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG UGT1A3, GCG, UGGT1 KMT2A 4023/4885MEN1 4207/4885NPSR1 444/4885

“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.