SCHEMBL233364

SCHEMBL233364

Nc1ccccc1C(=O)NCC(=O)[O-].[Na+]

nearest known ligand 0.53

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 17)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.42
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 8/20 0.53
HPGD P15428 7/20 0.53
HSD17B10 Q99714 3/20 0.49
RCE1 Q9Y256 1/20 0.49
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.46
NSD2 O96028 2/20 0.45
LMNA P02545 1/20 0.45
CFTR P13569 1/20 0.44
FADS1 O60427 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL196585 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL4062229 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10RCE1
Salicyluric Acid SCHEMBL29366327 0.81 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL28160698 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL31267447 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL8745364 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10RCE1
Iodohippurate SCHEMBL1652159 0.79 KMT2A (0.50) MAPK1
Iodohippurate SCHEMBL29687574 0.79 TSHR (0.39) ALDH1A1KDM4EHPGDMAPK1LMNA
Iodohippurate SCHEMBL29576793 0.79 KMT2A (0.50) MAPK1
Iodohippurate SCHEMBL29687958 0.79 TSHR (0.42) ALDH1A1KDM4EHPGDMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3965751-B1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM ISOTOPE TECH MUNICH SE (DE) 2022-12-28 EP claimed
US-20220304964-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2022-09-29 US claimed
EP-3965751-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotope Technologies Munich SE (DE) 2022-03-16 EP claimed
CN-114126654-A Para-aminohippuric acid (PAH) as a kidney protective substance 同位素技术慕尼黑有限公司 2022-03-01 CN claimed
US-20210401998-A1 METHODS OF TREATING CYP2D6 ALTERNATIVE METABOLIZERS NEKTAR THERAPEUTICS (US) 2021-12-30 US claimed
US-10953073-B2 XTEN conjugate compositions and methods of making same AMUNIX PHARMACEUTICALS, INC. (US) 2021-03-23 US claimed
WO-2020225447-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotopen Technologien München AG (DE) 2020-11-12 WO claimed
WO-2020224780-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotopen Technologien München AG (DE) 2020-11-12 WO claimed
CN-104725628-B A kind of single functionalization branched polyethylene glycol, preparation method and its bio-related substance containing degradable group 厦门赛诺邦格生物科技股份有限公司 2018-04-17 CN claimed
EP-1988910-B1 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION KODIAK SCIENCES INC (US) 2017-12-06 EP claimed
WO-2009151590-A2 METHODS OF TREATING CYP2D6 ALTERNATIVE METABOLIZERS NEKTAR THERAPEUTICS (US) 2009-12-17 WO claimed
WO-2008116165-A9 METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION NEXT SAFETY INC (US) 2009-06-11 WO claimed
EP-1988910-A2 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION Oligasis Corporation (US) 2008-11-12 EP claimed
WO-2008116165-A2 METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION NEXT SAFETY, INC. (US) 2008-09-25 WO claimed
US-20080066741-A1 METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION HUNTER, CHARLES ERIC 2008-03-20 US claimed
WO-2007100905-A2 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION NEXGEN THERAPEUTICS, LLC (US) 2007-09-07 WO claimed
WO-2007100902-A2 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION OLIGASIS CORPORATION (US) 2007-09-07 WO claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10953073-B2 XTEN conjugate compositions and methods of making same XPA, TXLNA, NGLY1 PTGS1 3385/4885ALDH1A1 3685/4885KDM4E 2338/4885
US-20220304964-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE PAH, SLCO1B1, SLCO2B1 PTGS1 1506/4885ALDH1A1 279/4885KDM4E 3011/4885

“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.