SCHEMBL233365

SCHEMBL233365

NC(NC(=O)c1ccccc1)C(=O)[O-].[Na+]

nearest known ligand 0.54

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
CA2 known ✓ P00918 1/20 0.47
CA4 known ✓ P22748 1/20 0.47
CA12 known ✓ O43570 1/20 0.45
CA1 known ✓ P00915 1/20 0.45
SLC1A2 P43004 1/20 0.54
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
HDAC3 O15379 1/20 0.45
IDO1 P14902 1/20 0.45
ALOX15 P16050 1/20 0.45
HDAC1 Q13547 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CTRB1 P17538 4/20 0.45
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL196586 0.82 SLC1A2 (0.65) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL29408688 0.82 SLC1A2 (0.65) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL28193079 0.81 SLC1A2 (0.62) SLC1A2LMNAHPGDHDAC3CA12
Hydrochloric Acid SCHEMBL27406623 0.81 SLC1A2 (0.62) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL27529872 0.78 SLC1A2 (0.63) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL12262967 0.78 SLC1A2 (0.63) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL7032942 0.78 CA2 (0.47) SLC1A2CA2CA4LMNAHPGD
SCHEMBL21232958 0.75 SLC1A2 (0.59) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL28326440 0.75 SLC1A2 (0.59) SLC1A2LMNAHPGDHDAC3CA12
SCHEMBL8935806 0.75 SLC1A2 (0.59) SLC1A2LMNAHPGDHDAC3CA12

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 589 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-2020224780-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotopen Technologien München AG (DE) 2020-11-12 WO claimed
WO-2020225447-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotopen Technologien München AG (DE) 2020-11-12 WO claimed
EP-1988910-B1 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION KODIAK SCIENCES INC (US) 2017-12-06 EP claimed
EP-3222142-A1 ACRYLOYLOXYETHYLPHOSPHORYLCHOLINE CONTAINING POLYMER CONJUGATES AND THEIR PREPARATION Kodiak Sciences Inc. (US) 2017-09-27 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 CA2 3956/4885CA4 1904/4885CA12 923/4885
US-20220304964-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE PAH, SLCO1B1, SLCO2B1 CA2 491/4885CA4 375/4885CA12 366/4885

“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.