SCHEMBL2865909

SCHEMBL2865909

O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N/Nc1ccccc1.[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 known ✓ Q9H244 5/20 0.32
P2RY2 known ✓ P41231 3/20 0.32
P2RY4 known ✓ P51582 3/20 0.32
P2RY1 known ✓ P47900 2/20 0.32
P2RY6 known ✓ Q15077 2/20 0.32
CA12 known ✓ O43570 1/20 0.31
CA2 known ✓ P00918 1/20 0.31
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
DEPTOR Q8TB45 1/20 0.35
PTPRC P08575 1/20 0.34
POLB P06746 2/20 0.33
HSP90AA1 P07900 1/20 0.33
VCP P55072 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
SCHEMBL340828 0.92 EIF2AK2 (0.35) ALDH1A1MAPTPTPRCL3MBTL1GAA
SCHEMBL342135 0.91 MAPT (0.35) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL21055662 0.85 ALDH1A1 (0.41) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL22031597 0.83 MEN1 (0.39) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL21436238 0.82 ALDH1A1 (0.41) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL21436655 0.82 ALDH1A1 (0.41) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL340738 0.82 ALDH1A1 (0.36) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL5344218 0.80 MEN1 (0.37) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL5344213 0.80 MEN1 (0.37) HTTALDH1A1KMT2AMEN1MAPT
SCHEMBL2864397 0.78 MEN1 (0.38) ALDH1A1KMT2AMEN1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115007872-B Method for synthesizing functional nano silver by natural plant extract and application thereof 广东艾粒生物科技有限责任公司 2023-07-04 CN disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 WO disclosed
CN-115007872-A Method for synthesizing functionalized nano-silver from natural plant extract and application thereof 广东轻工职业技术学院 2022-09-06 CN disclosed
CN-113475667-A Production process of compound colorant 广东顺大食品调料有限公司 2021-10-08 CN disclosed
US-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 US disclosed
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 US disclosed
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2017-02-09 US disclosed
WO-2015160841-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2015-10-22 WO disclosed
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 US disclosed
US-20070154621-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-07-05 US disclosed
US-20050203063-A1 Proteasome pathway inhibitors and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-09-15 US disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 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 (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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 P2RY12 2658/4885P2RY2 2393/4885P2RY4 2255/4885
US-20050203063-A1 Proteasome pathway inhibitors and related methods PSME1, PSMC5, PSMB1 P2RY12 4696/4885P2RY2 4624/4885P2RY4 4744/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 P2RY12 2658/4885P2RY2 2393/4885P2RY4 2255/4885
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE SMOX, TET2, TST P2RY12 3119/4885P2RY2 3120/4885P2RY4 2179/4885

“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.