SCHEMBL425733

SCHEMBL425733

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ESR2 Q92731 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL425634 0.81 KMT2A (0.54) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL6067593 0.78 KMT2A (0.57) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL1818825 0.75 LTA4H (0.55) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL27476119 0.75 OPRK1 (0.66) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL1930736 0.75 KMT2A (0.70) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL12291744 0.74 KMT2A (0.75) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL20769767 0.74 KMT2A (0.64) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL10329430 0.73 OPRK1 (0.62) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL4121702 0.73 OPRK1 (0.62) KMT2AMEN1OPRK1TDP1LMNA
SCHEMBL4121655 0.72 KMT2A (0.57) KMT2AMEN1OPRK1TDP1LMNA

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 3 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

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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