SCHEMBL3072474

SCHEMBL3072474

O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)CCCC1=O.O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)CCCC1=O.[Na+].[Na+]

nearest known ligand 0.36

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 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL3081013 1.00 ALDH1A1 (0.36) ALDH1A1PKM
SCHEMBL3083996 0.95 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL3072878 0.95 ALDH1A1 (0.38) ALDH1A1PKM
SCHEMBL2443510 0.88 ALDH1A1 (0.48) ALDH1A1PKM
SCHEMBL17525717 0.88 ALDH1A1 (0.48) ALDH1A1PKM
SCHEMBL3085221 0.84 ALDH1A1 (0.52) ALDH1A1PKM
SCHEMBL17525712 0.82 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL4622374 0.82 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL4623022 0.81 TSHR (0.38) ALDH1A1PKM
SCHEMBL6996873 0.78 ALDH1A1 (0.37) ALDH1A1PKM

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
EP-1905763-B1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS NEBOLSIN VLADIMIR EVGENIEVICH (RU) 2019-05-08 EP claimed
US-8940780-B2 N-acylic aminoacid derivatives, method for the production thereof, pharmacological composition and the use in the form anti-allergic, anti-inflammatory and hypolipidemic agents OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2015-01-27 US claimed
EP-1905763-B1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS NEBOLSIN VLADIMIR EVGENIEVICH (RU) 2019-05-08 EP disclosed
US-8940780-B2 N-acylic aminoacid derivatives, method for the production thereof, pharmacological composition and the use in the form anti-allergic, anti-inflammatory and hypolipidemic agents OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2015-01-27 US disclosed
US-8318950-B2 N-acyl amino acid derivatives, a method for the preparation thereof, a pharmaceutical composition and use thereof as anti-allergic, anti-inflammatory and hypolipidemic agents Otkrytoe Aktsionernoe Obschestvo-Otechestvennye Lekarstva (RU) 2012-11-27 US disclosed
US-20100267962-A1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS Nebolsin, Vladimir Evgenievich (RU) 2010-10-21 US disclosed
US-20080319040-A1 N-Acylic Aminoacid Derivatives, Method For The Production Thereof, Pharmacological Composition And The Use In The Form Anti-Allergic, Anti-Inflammatory And Hypolipidemic Agents OTKRYTOE AKTSIONERNOE OBSCHESTVO "OTECHESTVENNYE LEKARSTVA (RU) 2008-12-25 US disclosed
EP-1905763-A1 N-ACYLIC AMINOACID DERIVATIVES. METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS Nebolsin, Vladimir Evgenievich (RU) 2008-04-02 EP 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 (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-20100267962-A1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS HRH4, HRH2, AADAT ALDH1A1 4093/4885PKM 4226/4885
US-20080319040-A1 N-Acylic Aminoacid Derivatives, Method For The Production Thereof, Pharmacological Composition And The Use In The Form Anti-Allergic, Anti-Inflammatory And Hypolipidemic Agents HRH4, HRH2, AADAT ALDH1A1 4093/4885PKM 4226/4885

“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.