SCHEMBL1023002

SCHEMBL1023002

CC(C)(C)OC(=O)NC(Cc1cc(I)ccc1OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.54
PPARA Q07869 5/20 0.53
PTPN1 P18031 3/20 0.50
MME P08473 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
PPARG P37231 4/20 0.48
SCN9A Q15858 1/20 0.47
CTSS P25774 4/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
MAPK1 P28482 1/20 0.44
PPARD Q03181 2/20 0.44
CYP2C9 P11712 1/20 0.44
PTGER1 P34995 1/20 0.44

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
SCHEMBL1023004 1.00 ACE (0.54) ACEPPARAPTPN1MMECPA1
SCHEMBL4850339 0.92 TACR1 (0.53) ACEPPARASCN9ACTSSCTSB
SCHEMBL1023115 0.92 TACR1 (0.53) ACEPPARASCN9ACTSSCTSB
SCHEMBL1023510 0.87 MME (0.51) ACEPPARAMMECPA1ACE2
SCHEMBL1023509 0.87 MME (0.51) ACEPPARAMMECPA1ACE2
SCHEMBL2584592 0.87 ACE (0.61) ACEPPARAPTPN1MMECPA1
SCHEMBL14497709 0.87 CTSS (0.45) ACEMMECPA1ACE2CTSS
SCHEMBL5159314 0.87 CTSS (0.49) ACEPTPN1CTSSCTSBCTSK
SCHEMBL14497707 0.87 CTSS (0.49) PTPN1CTSSCTSBCTSKCTSL
SCHEMBL14497790 0.86 CTSB (0.47) ACEPTPN1MMECPA1ACE2

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
US-20070129288-A1 Antibacterial amide macrocycles BAYER HEALTHCARE AG (DE) 2007-06-07 US disclosed
EP-1515983-B1 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO KG (DE) 2007-02-21 EP disclosed
US-20060258571-A1 Antibacterial ester macrocycles AICURIS GMBH & CO. KG (DE) 2006-11-16 US disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
WO-2005100380-A1 ANTIBACTERIAL AMIDE MACROCYCLES II AICURIS GMBH & CO.KG (DE) 2005-10-27 WO disclosed
EP-1526896-A1 ANTIBACTERIAL ESTER MACROCYCLES Bayer HealthCare AG (DE) 2005-05-04 EP disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO disclosed
EP-1515983-A1 ANTIBACTERIAL AMIDE MACROCYCLES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2004012816-A1 ANTIBACTERIAL ESTER MACROCYCLES BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2003106480-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2003-12-24 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 (4 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-20070129288-A1 Antibacterial amide macrocycles AADAC, AAAS, MRPL21 ACE 68/4885PPARA 343/4885PTPN1 3958/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC ACE 23/4885PPARA 169/4885PTPN1 4036/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 ACE 45/4885PPARA 80/4885PTPN1 4282/4885
US-20060258571-A1 Antibacterial ester macrocycles TECR, MRPL21, CYP51A1 ACE 319/4885PPARA 149/4885PTPN1 4196/4885

“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.