SCHEMBL4041601

SCHEMBL4041601

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(C(=O)[O-])cn1.[Na+]

nearest known ligand 0.34

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
GABRA1 known ✓ P14867 3/20 0.32
GABRG2 known ✓ P18507 3/20 0.32
GABRB3 known ✓ P28472 3/20 0.32
GABRA5 known ✓ P31644 3/20 0.32
GABRA3 known ✓ P34903 3/20 0.32
GABRA2 known ✓ P47869 3/20 0.32
GABRA4 known ✓ P48169 3/20 0.32
GABRA6 known ✓ Q16445 3/20 0.32
GABRP known ✓ O00591 1/20 0.31
GABRD known ✓ O14764 1/20 0.31
GABRB1 known ✓ P18505 1/20 0.31
GABRB2 known ✓ P47870 1/20 0.31
GABRE known ✓ P78334 1/20 0.31
GABRG1 known ✓ Q8N1C3 1/20 0.31
GABRG3 known ✓ Q99928 1/20 0.31
GABRQ known ✓ Q9UN88 1/20 0.31
SYK known ✓ P43405 1/20 0.31
USP30 Q70CQ3 1/20 0.34
PDPK1 O15530 1/20 0.33
SIRT6 Q8N6T7 1/20 0.31

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
SCHEMBL2644570 0.82 SIRT6 (0.35) USP30GABRA1GABRG2GABRB3GABRA5
SCHEMBL2644567 0.79 USP30 (0.33) USP30PDPK1GABRA1GABRG2GABRB3
SCHEMBL16690794 0.78 MEN1 (0.35) USP30PDPK1SYK
SCHEMBL4039542 0.78 P4HTM (0.36) USP30PDPK1GABRA1GABRG2GABRB3
SCHEMBL31000220 0.77 SSTR4 (0.34) USP30PDPK1SYK
SCHEMBL26947073 0.77 PDPK1 (0.34) USP30PDPK1GABRA1GABRG2GABRB3
SCHEMBL6823621 0.77 SSTR4 (0.34) USP30PDPK1SYK
SCHEMBL13194954 0.77 USP30 (0.34) USP30PDPK1SYK
SCHEMBL4042974 0.75 PTGER1 (0.33) SYK
SCHEMBL16690795 0.75 PDPK1 (0.33) USP30PDPK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 WO 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 GABRA1 1266/4885GABRG2 699/4885GABRB3 1550/4885

“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.