SCHEMBL5501849

SCHEMBL5501849

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(N)c1.[Na+].[Na+].[Na+]

nearest known ligand 0.79

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
ADORA3 known ✓ P0DMS8 1/20 0.57
GABRA1 known ✓ P14867 1/20 0.57
P2RY2 known ✓ P41231 1/20 0.57
GABRA2 known ✓ P47869 1/20 0.57
GABRB2 known ✓ P47870 1/20 0.57
P2RY6 known ✓ Q15077 1/20 0.57
P2RY11 Q96G91 9/20 0.79
RECQL P46063 5/20 0.79
KMT2A Q03164 5/20 0.79
HSD17B10 Q99714 5/20 0.79
TDP1 Q9NUW8 5/20 0.79
SIRT2 Q8IXJ6 4/20 0.79
SIRT1 Q96EB6 4/20 0.79
MAPT P10636 4/20 0.79
PKM P14618 4/20 0.79
LMNA P02545 3/20 0.79
POLB P06746 3/20 0.79
TSHR P16473 3/20 0.79
NFKB1 P19838 3/20 0.79
APEX1 P27695 3/20 0.79

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
SCHEMBL11474334 0.89 P2RY11 (0.76) P2RY11RECQLKMT2AHSD17B10TDP1
Suramin SCHEMBL414636 0.88 RECQL (1.00) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL29438489 0.86 P2RY11 (0.75) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL11406414 0.86 P2RY11 (0.78) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL17903265 0.85 P2RY11 (0.78) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL5501853 0.84 P2RY11 (0.77) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL11758251 0.81 SIRT2 (0.64) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL29438482 0.80 P2RY11 (0.74) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL11407249 0.80 P2RY11 (0.74) P2RY11RECQLKMT2AHSD17B10TDP1
SCHEMBL30205447 0.80 HPSE (0.62) P2RY11RECQLKMT2AHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009152-A1 METHODS OF MANUFACTURE OF SURAMIN PERFECT DAYLIGHT LIMITED (MC) 2024-01-11 US disclosed
EP-4188356-A1 METHODS OF MANUFACTURE OF SURAMIN Perfect Daylight Limited (MC) 2023-06-07 EP disclosed
WO-2022026627-A1 METHODS OF MANUFACTURE OF SURAMIN PERFECT DAYLIGHT LIMITED (US) 2022-02-03 WO disclosed
EP-1237853-B1 A PROCESS FOR REMOVING TRACE SOLVENT FROM A MATERIAL PFIZER SCIENCE & TECH LTD (IE) 2007-03-28 EP disclosed
US-6684526-B2 Process for removing trace solvent from a material PFIZER SCIENCE AND TECHNOLOGY IRELAND, LIMITED (IE) 2004-02-03 US disclosed
US-20020152629-A1 Process for removing trace solvent from a material PFIZER SCIENCE AND TECHNOLOGY IRELAND LIMITED (IE) 2002-10-24 US disclosed
EP-1237853-A1 A PROCESS FOR REMOVING TRACE SOLVENT FROM A MATERIAL Warner Lambert Research and Development Ireland Limited (IE) 2002-09-11 EP disclosed
WO-2001044173-A1 A PROCESS FOR REMOVING TRACE SOLVENT FROM A MATERIAL WARNER LAMBERT RESEARCH AND DEVELOPMENT IRELAND LIMITED (IE) 2001-06-21 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 (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-20240009152-A1 METHODS OF MANUFACTURE OF SURAMIN SRM, SMS, NUDT1 ADORA3 632/4885GABRA1 2977/4885P2RY2 527/4885

“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.