SCHEMBL2945577

SCHEMBL2945577

O=C(Cl)c1ccccc1C=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 2/20 0.48
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
BCHE P06276 1/20 0.36
GUSB P08236 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
NFKB1 P19838 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL894922 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL1200734 0.82 ALDH1A1 (0.40) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL29951511 0.80 LMNA (0.52) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL7536432 0.80 LMNA (0.52) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL6835473 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15TDP1KDM4EPOLB
SCHEMBL35240 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL31692683 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15CES2CES1BCHE
SCHEMBL7416476 0.78 ALDH1A1 (0.50) ALDH1A1BCHEGUSBTDP1KDM4E
SCHEMBL6048203 0.78 LMNA (0.39) ALDH1A1ALOX15BCHEGUSBMEN1
SCHEMBL5074597 0.78 CYP3A4 (0.35) ALDH1A1ALOX15CES2CES1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160003995-A1 OPTICAL FILM, CIRCULARLY POLARIZING PLATE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE Konica Minolta, Inc. (JP) 2016-01-07 US disclosed
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP disclosed
US-8552174-B2 Solutions, methods, and processes for deprotection of polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2013-10-08 US disclosed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 EP disclosed
US-8202985-B2 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
US-7759471-B2 nucleotide monomer used to make protected RNA that has similar stability to the DNA molecule AGILENT TECHNOLOGIES, INC. (US) 2010-07-20 US disclosed
EP-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP disclosed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO disclosed
EP-1792909-A1 Synthesis of polynucleotides Agilent Technologies, Inc. (US) 2007-06-06 EP disclosed
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US disclosed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 US disclosed
US-20070100137-A1 Solutions, methods, and processes for deprotection of polynucleotides THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (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-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 ALDH1A1 3649/4885ALOX15 1431/4885CES2 2621/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA ALDH1A1 4074/4885ALOX15 1798/4885CES2 2426/4885
US-20070100137-A1 Solutions, methods, and processes for deprotection of polynucleotides POLN, POLRMT, POLM ALDH1A1 3698/4885ALOX15 4213/4885CES2 674/4885

“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.