SCHEMBL1898972

SCHEMBL1898972

CC(CO[C]=O)c1ccc2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
MAPT P10636 4/20 0.33
GAA P10253 1/20 0.33
AOC3 Q16853 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NQO2 P16083 1/20 0.32
SRC P12931 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL774829 0.83 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL6054284 0.81 TXNRD1 (0.55) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL3326237 0.80 SRC (0.48) TXNRD1TXNRD3TXNRD2MAPTTDP1
SCHEMBL6046956 0.79 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL6038159 0.77 TXNRD1 (0.56) TXNRD1TXNRD3TXNRD2MAPTAOC3
SCHEMBL16724095 0.74 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL16722824 0.73 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL15049954 0.73 TXNRD1 (0.48) TXNRD1TXNRD3TXNRD2MAPTSRC
SCHEMBL3489697 0.72 TXNRD1 (0.50) TXNRD1TXNRD3TXNRD2MAPTGAA
SCHEMBL3328445 0.70 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-28 US claimed
EP-2045004-A1 Method of manufacturing polymer array by coating photosensitizer Samsung Electronics Co., Ltd. (KR) 2009-04-08 EP claimed
US-20230083189-A1 MICROARRAYS POLYMER FORGE, INC. 2023-03-16 US disclosed
US-11001602-B2 Diarylsulfide backbone containing photolabile protecting groups ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2021-05-11 US disclosed
US-20190112328-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS NIMBLEGEN SYSTEMS GMBH (DE) 2019-04-18 US disclosed
EP-2914607-B1 PHOTOCLEAVABLE LINKER MOLECULES WITH DIARYLSULPHID BACKBONE FOR TRANSIENT BIOCONJUGATE SYNTHESIS VENTANA MED SYST INC (US) 2017-11-29 EP disclosed
US-9790243-B2 Photocleavable linker molecules with diarylsulphide backbone for transient bioconjugate synthesis VENTANA MEDICAL SYSTEMS, INC. (US) 2017-10-17 US disclosed
EP-2821792-B1 Whole proteome tiling microarrays HOFFMANN LA ROCHE (CH) 2017-09-13 EP disclosed
EP-2686351-B1 METHODS FOR SYNTHESIS OF AN OLIGOPEPTIDE MICROARRAY ROCHE DIAGNOSTICS GMBH (DE) 2017-06-28 EP disclosed
US-9346892-B2 Methods for synthesis of an oligopeptide microarray ROCHE NIMBLE GEN, INC. (US) 2016-05-24 US disclosed
US-20160060286-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS NIMBLEGEN SYSTEMS GMBH (DE) 2016-03-03 US disclosed
US-20050170281-A1 Method of cleaving labile functional groups from chemical compounds NIMBLEGEN SYSTEMS, INC. 2005-08-04 US disclosed
EP-1519941-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Chemogenix GmbH (DE) 2005-04-06 EP disclosed
EP-1480927-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2004-12-01 EP disclosed
WO-2004089529-A1 METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES Universität Konstanz (DE) 2004-10-21 WO disclosed
US-20040203036-A1 Multimer polynucleotide synthesis CHEMOGENIX GMBH (DE) 2004-10-14 US disclosed
EP-1409505-A1 MULTIMER POLYNUCLEOTIDE SYNTHESIS Chemogenix GmbH (DE) 2004-04-21 EP disclosed
WO-2004001033-A2 A METHOD OF CLEAVING LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS CHEMOGENIX GMBH (DE) 2003-12-31 WO disclosed
WO-2003074542-A2 A METHOD FOR CLEAVAGE OF LABILE FUNCTIONAL GROUPS FROM CHEMICAL COMPOUNDS Universität Konstanz (DE) 2003-09-12 WO disclosed
WO-2003006476-A1 MULTIMER POLYNUCLEOTIDE SYNTHESIS CHEMOGENIX GMBH (DE) 2003-01-23 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 (5 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-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP POLL, POLRMT, POLN TXNRD1 2630/4885TXNRD3 1636/4885TXNRD2 2491/4885
US-20040203036-A1 Multimer polynucleotide synthesis NT5C3B, PCNA, POLL TXNRD1 4314/4885TXNRD3 3275/4885TXNRD2 3605/4885
US-11001602-B2 Diarylsulfide backbone containing photolabile protecting groups CRY2, PRXL2A, MGMT TXNRD1 2015/4885TXNRD3 505/4885TXNRD2 1062/4885
US-20160060286-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS CRY2, PRXL2A, MGMT TXNRD1 2015/4885TXNRD3 505/4885TXNRD2 1062/4885
US-20190112328-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS CRY2, PRXL2A, MGMT TXNRD1 2015/4885TXNRD3 505/4885TXNRD2 1062/4885

“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.