SCHEMBL866120

SCHEMBL866120

C=CCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.68
THRB P10828 2/20 0.68
HTT P42858 2/20 0.66
MAPT P10636 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ATM Q13315 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 2/20 0.49
RECQL P46063 1/20 0.49
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33

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
SCHEMBL10207139 0.92 PKM (0.58) PKMTHRBHTTMAPTMEN1
SCHEMBL7727868 0.85 PKM (0.70) PKMTHRBHTTMAPTMEN1
SCHEMBL7024490 0.84 PKM (0.68) PKMTHRBHTTMAPTMEN1
SCHEMBL896025 0.83 PKM (0.46) PKMTHRBHTTMAPTMEN1
SCHEMBL7025943 0.83 PKM (0.66) PKMTHRBHTTMAPTMEN1
SCHEMBL14593304 0.81 PKM (0.79) PKMTHRBHTTMAPTMEN1
SCHEMBL14503012 0.81 PKM (0.78) PKMTHRBHTTMAPTMEN1
SCHEMBL10207140 0.80 PKM (0.51) PKMTHRBHTTMAPTMEN1
SCHEMBL16309672 0.80 ATM (0.49) PKMTHRBHTTMAPTMEN1
SCHEMBL8499870 0.78 PKM (0.79) PKMTHRBHTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164186-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2023-08-31 WO disclosed
WO-2023164186-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2023-08-31 WO disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 US disclosed
US-20140255991-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-09-11 US disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
US-20120077228-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20100184193-A1 OVEREXPRESSION OF AMINOACYL-tRNA SYNTHETASES FOR EFFICIENT PRODUCTION OF ENGINEERED PROTEINS CONTAINING AMINO ACID ANALOGUES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-07-22 US disclosed
US-7723070-B2 Adding an desired amino acid analog to a medium containing a host cell with a vector coding for aminoacyl-tRNA synthetase and a vector coding for the polypeptide of interest; and growing the cell to produce the modified polypeptide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-05-25 US disclosed
US-20080160609-A1 Dihydrofolate reductase; site directed mutagenesis; point mutations; auxotroph host cells CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-07-03 US disclosed
US-20080026422-A1 Adding an desired amino acid analog to a medium containing a host cell with a vector coding for aminoacyl-tRNA synthetase and a vector coding for the polypeptide of interest; and growing the cell to produce the modified polypeptide CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-01-31 US disclosed
US-7198915-B2 Preparing modified/artificial polypeptides; mimetics CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-04-03 US disclosed
US-20040058415-A1 Preparing modified/artificial polypeptides; mimetics CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-03-25 US disclosed
US-6586207-B2 Host cell is a methionine auxotroph; methionine-tRNA synthetase overexpressed in presence of analogues and absence of methionine; protein is modified dihydrofolate reductase CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-07-01 US disclosed
US-20020042097-A1 Host cell is a methionine auxotroph; methionine-tRNA synthetase overexpressed in presence of analogues and absence of methionine; protein is modified dihydrofolate reductase CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-04-11 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 (3 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-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 PKM 909/4885THRB 2176/4885HTT 4239/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 PKM 909/4885THRB 2176/4885HTT 4239/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 PKM 909/4885THRB 2176/4885HTT 4239/4885

“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.