SCHEMBL3026735

SCHEMBL3026735

Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
P2RY12 known ✓ Q9H244 8/20 1.00
P2RY4 known ✓ P51582 8/20 0.78
P2RY2 known ✓ P41231 8/20 0.78
P2RY6 known ✓ Q15077 4/20 0.78
P2RY1 known ✓ P47900 2/20 0.78
MET P08581 4/20 0.78
HGF P14210 2/20 0.78
CDK2 P24941 2/20 0.78
ENTPD1 P49961 4/20 0.76

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
SCHEMBL29352679 0.91 P2RY12 (0.83) P2RY12P2RY4P2RY2METHGF
SCHEMBL30504038 0.88 P2RY12 (1.00) P2RY12P2RY4P2RY2METHGF
SCHEMBL29395314 0.88 P2RY12 (1.00) P2RY12P2RY4P2RY2METHGF
SCHEMBL3019529 0.88 P2RY12 (1.00) P2RY12P2RY4P2RY2METHGF
SCHEMBL3029895 0.88 MET (0.93) P2RY12P2RY4P2RY2METHGF
SCHEMBL3026030 0.88 P2RY12 (1.00) P2RY12P2RY4P2RY2METHGF
SCHEMBL27990406 0.88 P2RY12 (0.78) P2RY12P2RY4P2RY2METHGF
Acid Blue 25 SCHEMBL29355038 0.88 P2RY4 (1.00) P2RY12P2RY4P2RY2METHGF
Acid Blue 25 SCHEMBL790822 0.88 P2RY4 (1.00) P2RY12P2RY4P2RY2METHGF
SCHEMBL791020 0.87 P2RY2 (0.93) P2RY12P2RY4P2RY2METHGF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129653-B1 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2017-05-17 EP disclosed
US-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2010-08-19 US disclosed
EP-2129653-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-12-09 EP disclosed
WO-2008107211-A2 NOVEL P2Y12 RECEPTOR ANTAGONISTS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT BONN (DE) 2008-09-12 WO disclosed
EP-1967513-A1 Novel P2Y12 receptor antagonists Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2008-09-10 EP disclosed
US-4304864-A PURIFICATION FROM CELLS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1981-12-08 US disclosed
US-4230852-A CELLULOSE, COTTON, ORANGE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-10-28 US disclosed
EP-0009781-A1 Process for the purification of long-chain acyl-coenzyme-A synthetase and the enzyme, acyl-CoA synthetase, purified thereby MITSUBISHI KASEI CORPORATION (JP) 1980-04-16 EP disclosed
US-4148790-A FOR CELLULOSIC FIBERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1979-04-10 US disclosed
US-4038267-A TRIAZINE REACTIVE DYES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-07-26 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 (1 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-20100210654-A1 NOVEL P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY11, P2RY13 P2RY12 1/4885P2RY4 8/4885P2RY2 5/4885

“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.