SCHEMBL4042974

SCHEMBL4042974

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(C(=O)[O-])n1.[Na+]

nearest known ligand 0.37

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 14)

geneUniProtsupporting neighboursconfidence
SYK known ✓ P43405 1/20 0.32
PPARG known ✓ P37231 1/20 0.31
PTGS1 known ✓ P23219 1/20 0.31
PTGER1 P34995 12/20 0.33
PAX8 Q06710 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 2/20 0.32
TBXA2R P21731 2/20 0.31
PTGER3 P43115 2/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGER2 P43116 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
SCHEMBL13447982 0.85 KDM4E (0.47) PAX8SYKCKS1BSKP1SKP2
SCHEMBL29988409 0.83 MAPT (0.42) SYKCYP1A2CYP2C9CYP2C19
SCHEMBL15968613 0.83 MAPT (0.42) SYKCYP1A2CYP2C9CYP2C19
SCHEMBL4037789 0.80 SSTR4 (0.34) PAX8SYK
SCHEMBL465913 0.80 CYP1A2 (0.59) SYKCYP1A2
SCHEMBL943797 0.79 SSTR4 (0.37) PAX8SYK
SCHEMBL959885 0.79 GRM5 (0.38) PAX8SYK
SCHEMBL24136431 0.78 PAX8 (0.34) PAX8SYKCKS1BSKP1SKP2
SCHEMBL2248255 0.78 SSTR4 (0.36) PAX8SYK
SCHEMBL26332181 0.78 PAX8 (0.34) PAX8SYKCKS1BSKP1SKP2

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 11 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
CN-1138546-C Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine ʷ��˿�������ȳ�ķ���޹�˾ 2004-02-18 CN disclosed
EP-0809499-B1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 2003-11-19 EP 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
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP disclosed
CN-1177299-A Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine SMITHKLINE BEECHAM CORP (US) 1998-03-25 CN disclosed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 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 SYK 3938/4885PPARG 2611/4885PTGS1 3818/4885

“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.