SCHEMBL3276927

SCHEMBL3276927

O=C([O-])C[C@H](NC(=O)CCCCC(S)CCS)C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
NOD1 Q9Y239 4/20 0.33
KMT2A Q03164 2/20 0.32

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
Zinc Ion SCHEMBL3338508 0.97 EPHX2 (0.43) EPHX2CPT2CPT1ACPT1BNOD1
Zinc Ion SCHEMBL2580359 0.96 EPHX2 (0.42) EPHX2CPT2CPT1ACPT1BNOD1
SCHEMBL4425978 0.90 EPHX2 (0.37) EPHX2NOD1KMT2A
Zinc Ion SCHEMBL2577660 0.86 KMT2A (0.33) EPHX2NOD1KMT2A
Zinc Ion SCHEMBL2585203 0.83 NMT1 (0.34) EPHX2NOD1KMT2A
Zinc Ion SCHEMBL2577508 0.81 FOLH1 (0.36) EPHX2NOD1KMT2A
Zinc Ion SCHEMBL2580310 0.81 SLC6A5 (0.43) NOD1
SCHEMBL2152753 0.80 EPHX2 (0.45) EPHX2CPT2CPT1ACPT1B
Zinc Ion SCHEMBL2574083 0.80 NOD1 (0.44) EPHX2CPT2CPT1ACPT1BNOD1
Zinc Ion SCHEMBL2574899 0.79 FNTA (0.46) EPHX2NOD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340603-A1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS INC (NZ) 2017-11-30 US claimed
US-20260000640-A1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS INC (NZ) 2026-01-01 US disclosed
US-20190008825-A1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS INC (NZ) 2019-01-10 US disclosed
US-10085966-B2 Compositions and methods for skin care ANTIPODEAN PHARMACEUTICALS, INC. (NZ) 2018-10-02 US disclosed
US-20170340603-A1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS INC (NZ) 2017-11-30 US disclosed
EP-2271349-B1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS INC (NZ) 2017-03-15 EP disclosed
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF SENJU PHARMACEUTICAL CO. LTD. (JP) 2010-06-17 US disclosed
US-7700080-B2 Method of suppressing melanin production by metal chelates of lipoyl amino acid derivatives SENJU PHARMACEUTICAL CO., LTD. (JP) 2010-04-20 US disclosed
WO-2009145982-A1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS, INC. (NZ) 2009-12-03 WO disclosed
EP-1371640-B1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF SENJU PHARMA CO (JP) 2009-10-28 EP disclosed
US-20090258841-A1 COMPOSITIONS AND METHODS FOR SKIN CARE ANTIPODEAN PHARMACEUTICALS, INC. (NZ) 2009-10-15 US disclosed
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 US disclosed
EP-1371640-A1 NOVEL A-LIPOIC ACID DERIVATIVE AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 2003-12-17 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 (7 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-20260000640-A1 COMPOSITIONS AND METHODS FOR SKIN CARE TXN2, NDUFA2, NDUFA9 EPHX2 1522/4885CPT2 96/4885CPT1A 477/4885
US-20100152288-A1 NOVEL a-LIPOIC ACID DERIVATIVES AND APPLICATIONS THEREOF TYR, SERPINB1, LPO EPHX2 1159/4885CPT2 2989/4885CPT1A 1308/4885
US-10085966-B2 Compositions and methods for skin care TFAM, HSPA9, MT-CO3 EPHX2 3242/4885CPT2 38/4885CPT1A 232/4885
US-20090258841-A1 COMPOSITIONS AND METHODS FOR SKIN CARE TFAM, HSPA9, MT-CO3 EPHX2 3242/4885CPT2 38/4885CPT1A 232/4885
US-20040092586-A1 Novel a-lipoic acid derivative and use thereof TYR, SERPINB1, LPO EPHX2 1812/4885CPT2 3362/4885CPT1A 1029/4885
US-20190008825-A1 COMPOSITIONS AND METHODS FOR SKIN CARE TFAM, HSPA9, MT-CO3 EPHX2 3242/4885CPT2 38/4885CPT1A 232/4885
US-20170340603-A1 COMPOSITIONS AND METHODS FOR SKIN CARE TFAM, HSPA9, MT-CO3 EPHX2 3242/4885CPT2 38/4885CPT1A 232/4885

“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.