SCHEMBL15904237

SCHEMBL15904237

O=C(C#Cc1ccccc1)NCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PYGL P06737 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NLRP3 Q96P20 1/20 0.45
GFER P55789 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PLD2 O14939 2/20 0.44
PLD1 Q13393 2/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL6361487 0.84 PTGES (0.50) NPC1RAB9APYGLPOLBMEN1
SCHEMBL22299805 0.83 HTT (0.53) NPC1RAB9APYGLPOLBMEN1
SCHEMBL4176134 0.83 CA12 (0.53) NPC1RAB9APOLBKMT2AHDAC2
SCHEMBL16071071 0.81 NPC1 (0.51) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL10254937 0.80 NPC1 (0.50) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL4181930 0.79 NPC1 (0.46) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL28350981 0.79 NPC1 (0.49) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL7746477 0.79 NPC1 (0.49) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL4164307 0.77 NPC1 (0.55) NPC1RAB9ACYP3A4VCPFFAR1
SCHEMBL4178343 0.77 RAB9A (0.55) NPC1RAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144793-A1 WATER-SOLUBLE YNAMIDE COUPLING REAGENT AND PREPARATION METHOD AND USE THEREOF Xi'an Easy Peptide Biotechnology Co., Ltd. (CN) 2022-05-12 US disclosed
US-10836707-B2 Mild and efficient preparation method for α-acyloxyenamide compounds and use thereof in synthesis of amide and polypeptide GUANGZHOU NEW PEPTIDE BIOMEDICAL COMPANY LIMITED (CN) 2020-11-17 US disclosed
US-20200299226-A1 MILD AND EFFICIENT PREPARATION METHOD FOR A-ACYLOXYENAMIDE COMPOUNDS AND USE THEREOF IN SYNTHESIS OF AMIDE AND POLYPEPTIDE GUANGZHOU NEW PEPTIDE BIOMEDICAL COMPANY LIMITED (CN) 2020-09-24 US disclosed
US-20190210957-A1 MILD AND EFFICIENT PREPARATION METHOD FOR A-ACYLOXYENAMIDE COMPOUNDS AND USE THEREOF IN SYNTHESIS OF AMIDE AND POLYPEPTIDE GUANGZHOU NEW PEPTIDE BIOMEDICAL COMPANY LIMITED (CN) 2019-07-11 US disclosed
WO-2018018863-A1 MILD AND EFFICIENT PREPARATION METHOD FOR Α-ACYLOXY ALKENYL AMIDE COMPOUND AND USE THEREOF IN SYNTHESIS OF AMIDE AND POLYPEPTIDE 江西师范大学 2018-02-01 WO disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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 (4 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-20190210957-A1 MILD AND EFFICIENT PREPARATION METHOD FOR A-ACYLOXYENAMIDE COMPOUNDS AND USE THEREOF IN SYNTHESIS OF AMIDE AND POLYPEPTIDE ANPEP, DNPEP, NAAA NPC1 4621/4885RAB9A 1351/4885PYGL 1514/4885
US-20220144793-A1 WATER-SOLUBLE YNAMIDE COUPLING REAGENT AND PREPARATION METHOD AND USE THEREOF SRMS, SYK, SRM NPC1 4628/4885RAB9A 2557/4885PYGL 142/4885
US-10836707-B2 Mild and efficient preparation method for α-acyloxyenamide compounds and use thereof in synthesis of amide and polypeptide ANPEP, DNPEP, PTMA NPC1 4547/4885RAB9A 1384/4885PYGL 1623/4885
US-20200299226-A1 MILD AND EFFICIENT PREPARATION METHOD FOR A-ACYLOXYENAMIDE COMPOUNDS AND USE THEREOF IN SYNTHESIS OF AMIDE AND POLYPEPTIDE ANPEP, DNPEP, NAAA NPC1 4621/4885RAB9A 1351/4885PYGL 1514/4885

“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.