SCHEMBL425634

SCHEMBL425634

CC(=O)Nc1ccc(OC(=O)CC[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
▸ OPRK1 P41145 2/20 0.52
▸ HSD17B10 Q99714 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ ESR2 Q92731 1/20 0.45
▸ MAPT P10636 4/20 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

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
SCHEMBL6067593 0.81 KMT2A (0.57) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL425733 0.81 KMT2A (0.50) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL1818825 0.78 LTA4H (0.55) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL27476119 0.78 OPRK1 (0.66) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL1930736 0.78 KMT2A (0.70) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL12291744 0.77 KMT2A (0.75) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL20769767 0.77 KMT2A (0.64) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL4132946 0.77 KMT2A (0.55) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL428554 0.76 KMT2A (0.54) KMT2AMEN1OPRK1HSD17B10SMN1; SMN2
SCHEMBL10329430 0.76 OPRK1 (0.62) KMT2AMEN1OPRK1HSD17B10SMN1; 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 4056/4885OPRK1 38/4885
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG UGT1A3, GCG, UGGT1 KMT2A 4023/4885MEN1 4207/4885OPRK1 50/4885

“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.

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