SCHEMBL157677

SCHEMBL157677

CCOP(=O)(COS(=O)(=O)c1ccccc1C)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GAA P10253 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTR6 P50406 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
HCRTR2 O43614 1/20 0.33
ACHE P22303 1/20 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
Pyridine SCHEMBL6266461 0.86 KMT2A (0.33) NPSR1KMT2AMEN1ESR1ESR2
SCHEMBL8731843 0.85 HSD17B10 (0.37) NPSR1POLBALDH1A1KCNH2CYP1A2
SCHEMBL8764024 0.82 HTR6 (0.43) NPSR1KMT2AKCNH2HTR6HTT
SCHEMBL27819893 0.82 TSHR (0.41) NPSR1KMT2AMEN1ESR1ESR2
SCHEMBL17651695 0.81 HPGD (0.47) KMT2AMEN1ALDH1A1HTR6LMNA
SCHEMBL8730050 0.81 NPSR1 (0.36) NPSR1KMT2APOLBALDH1A1KCNH2
SCHEMBL8734727 0.80 MEN1 (0.39) KMT2AMEN1ALDH1A1TSHR
SCHEMBL21777190 0.80 KMT2A (0.47) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL8734810 0.80 ACHE (0.36) NPSR1POLBALDH1A1KCNH2MAPT
SCHEMBL582357 0.80 KMT2A (0.44) NPSR1KMT2AMEN1ESR1ESR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317083-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF CUREVERSE INCORPORATED (KR) 2021-10-14 US claimed
EP-3838896-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-06-23 EP claimed
US-20210317083-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF CUREVERSE INCORPORATED (KR) 2021-10-14 US disclosed
EP-3838896-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF Korea Institute of Science and Technology (KR) 2021-06-23 EP disclosed
EP-3020720-B1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF CHIMERIX INC (US) 2018-09-19 EP disclosed
EP-2012799-B1 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX INC (US) 2016-08-24 EP disclosed
EP-3020720-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF Chimerix, Inc. (US) 2016-05-18 EP disclosed
US-9303051-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX INC. (US) 2016-04-05 US disclosed
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2015-11-19 US disclosed
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2014-02-13 US disclosed
US-8569321-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX, INC. (US) 2013-10-29 US disclosed
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2012-03-08 US disclosed
WO-2012031045-A2 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF CHIMERIX, INC. (US) 2012-03-08 WO disclosed
US-7994143-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2011-08-09 US disclosed
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2010-09-30 US disclosed
US-7749983-B2 Metabolically stable alkoxyalkyl esters of antiviral or antiproliferative phosphonates, nucleoside phosphonates and nucleoside phosphates CHIMERIX, INC. (US) 2010-07-06 US disclosed
EP-2012799-A2 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES Chimerix, Inc. (US) 2009-01-14 EP disclosed
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates CHIMERIX, INC. (US) 2008-01-10 US disclosed
WO-2007130783-A2 METABOLICALLY STABLE ALKOXYALKYL ESTERS OF ANTIVIRAL OR ANTIPROLIFERATIVE PHOSPHONATES, NUCLEOSIDE PHOSPHONATES AND NUCLEOSIDE PHOSPHATES CHIMERIX, INC. (US) 2007-11-15 WO disclosed
EP-1256585-B1 Process for preparing 9-(2-(diethylphosphonomethoxy)ethyl)-adenine GILEAD SCIENCES INC (US) 2004-09-29 EP 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 (6 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-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP NPSR1 3297/4885KMT2A 2791/4885MEN1 1891/4885
US-20140046085-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP NPSR1 3297/4885KMT2A 2791/4885MEN1 1891/4885
US-20100249056-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 NPSR1 3295/4885KMT2A 3102/4885MEN1 2347/4885
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF PHOSPHO1, PIK3CA, PNP NPSR1 3297/4885KMT2A 2791/4885MEN1 1891/4885
US-20210317083-A1 NOVEL HALO-(3-(PHENYLSULFONYL)PROP-1-ENYL)PYRIDINE DERIVATIVE AND USE THEREOF KEAP1, NFE2L2, BACH1 NPSR1 3057/4885KMT2A 2410/4885MEN1 4704/4885
US-20080009462-A1 Metabolically Stable Alkoxyalkyl Esters of Antiviral or Antiproliferative Phosphonates, Nucleoside Phosphonates and Nucleoside Phosphates PNP, TYMP, ENPP1 NPSR1 3295/4885KMT2A 3102/4885MEN1 2347/4885

“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.