SCHEMBL2854183

SCHEMBL2854183

CC(=O)N(C)c1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]

nearest known ligand 0.74

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 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 known ✓ P41231 10/20 0.74
▸ P2RY4 known ✓ P51582 12/20 0.70
▸ P2RY12 known ✓ Q9H244 6/20 0.70
▸ P2RY6 known ✓ Q15077 4/20 0.70
▸ P2RY1 known ✓ P47900 2/20 0.69
▸ ENTPD1 P49961 2/20 0.70
▸ MET P08581 3/20 0.70
▸ HGF P14210 2/20 0.70
▸ CDK2 P24941 2/20 0.69

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
SCHEMBL29439077 1.00 P2RY2 (0.74) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL9173641 0.90 PHLPP2 (0.74) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL29370484 0.89 P2RY12 (0.67) P2RY2P2RY4P2RY12P2RY6MET
SCHEMBL29356677 0.85 P2RY2 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL13316759 0.84 P2RY12 (0.56) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3021097 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3029895 0.83 MET (0.93) P2RY2P2RY4P2RY12P2RY6ENTPD1
SCHEMBL3026030 0.83 P2RY12 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
Acid Blue 25 SCHEMBL29355038 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1
Acid Blue 25 SCHEMBL790822 0.83 P2RY4 (1.00) P2RY2P2RY4P2RY12P2RY6ENTPD1

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
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
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
EP-2846848-B1 OPHTHALMIC VISCOELASTIC DEVICE ZEISS CARL MEDITEC AG (DE) 2018-03-07 — — EP disclosed
US-20150119356-A1 Ophthalmic Viscoelastic Device CARL ZEISS MEDITEC AG (DE) 2015-04-30 — — US disclosed
EP-2846848-A1 OPHTHALMIC VISCOELASTIC DEVICE Carl Zeiss Meditec AG (DE) 2015-03-18 — — EP disclosed
WO-2013167632-A1 OPHTHALMIC VISCOELASTIC DEVICE CARL ZEISS MEDITEC AG (DE) 2013-11-14 — — 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-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
US-5385842-A Anthraquinones as inhibitors of sulfide production from sulfate-reducing bacteria E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-31 — — US disclosed
EP-0525073-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA. DU PONT (US) 1993-02-03 — — EP disclosed
WO-1991015954-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 — — 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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 P2RY2 2393/4885P2RY4 2255/4885P2RY12 2658/4885
US-20150119356-A1 Ophthalmic Viscoelastic Device UACA, ICAM1, VIM P2RY2 2820/4885P2RY4 2342/4885P2RY12 1623/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 P2RY2 2393/4885P2RY4 2255/4885P2RY12 2658/4885

“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.

Send feedback