SCHEMBL25291368

SCHEMBL25291368

CC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)c(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.45

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 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 3/20 0.38
▸ CA1 known ✓ P00915 2/20 0.38
▸ CA4 known ✓ P22748 2/20 0.38
▸ CA12 known ✓ O43570 1/20 0.38
▸ RAD51 Q06609 1/20 0.45
▸ MMP8 P22894 2/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ JAK2 O60674 3/20 0.43
▸ GAA P10253 1/20 0.40
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GLS O94925 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL22690914 1.00 RAD51 (0.45) RAD51MMP8MMP3JAK2GAA
SCHEMBL22690412 0.90 MMP8 (0.44) MMP8MMP3JAK2GAASUV39H2
SCHEMBL22690408 0.90 MMP8 (0.44) MMP8MMP3JAK2GAASUV39H2
SCHEMBL31045300 0.83 JAK2 (0.44) MMP8MMP3JAK2SUV39H2MEN1
SCHEMBL28464030 0.82 JAK2 (0.43) MMP8MMP3JAK2SUV39H2MEN1
SCHEMBL29560480 0.82 JAK2 (0.43) MMP8MMP3JAK2SUV39H2MEN1
SCHEMBL31045429 0.82 JAK2 (0.43) MMP8MMP3JAK2SUV39H2MEN1
SCHEMBL18975494 0.77 KMT2A (0.52) JAK2SUV39H2MEN1KMT2AGLS
SCHEMBL23964045 0.77 KMT2A (0.52) JAK2SUV39H2MEN1KMT2AGLS
SCHEMBL31045345 0.76 MEN1 (0.48) SUV39H2MEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218778-A1 PARA-AMINO-BENZYL LINKERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN CONJUGATES LES LABORATOIRES SERVIER (FR) 2023-07-13 — — US 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-20230218778-A1 PARA-AMINO-BENZYL LINKERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN CONJUGATES DNPEP, PEPD, PREP CA2 2683/4885CA1 1395/4885CA4 559/4885

“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.

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