SCHEMBL4850339

SCHEMBL4850339

CC(C)(C)OC(=O)NC(Cc1cc(I)ccc1OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
PPARA Q07869 1/20 0.46
KLK7 P49862 2/20 0.46
ACE P12821 2/20 0.45
KLK5 Q9Y337 2/20 0.45
CTSS P25774 3/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SYK P43405 1/20 0.44
SCN9A Q15858 1/20 0.43
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43

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
SCHEMBL1023115 1.00 TACR1 (0.53) TACR1PPARAKLK7ACEKLK5
SCHEMBL5159314 0.95 CTSS (0.49) TACR1ACEKLK5CTSSCTSL
SCHEMBL1023004 0.92 ACE (0.54) PPARAACECTSSCTSLCTSB
SCHEMBL1023002 0.92 ACE (0.54) PPARAACECTSSCTSLCTSB
SCHEMBL14497709 0.91 CTSS (0.45) TACR1ACECTSSCTSLCTSB
SCHEMBL14497789 0.90 REN (0.51) TACR1CTSSCTSLCTSKPOLB
SCHEMBL14497790 0.89 CTSB (0.47) TACR1ACEKLK5CTSSCTSL
SCHEMBL14497707 0.89 CTSS (0.49) KLK7KLK5CTSSCTSLCTSB
SCHEMBL14497792 0.87 MME (0.47) TACR1ACECTSSCTSLCTSB
SCHEMBL14497708 0.87 MEN1 (0.44) TACR1PPARAKLK7ACEKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-1515983-A1 ANTIBACTERIAL AMIDE MACROCYCLES Bayer HealthCare AG (DE) 2005-03-23 EP 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 TACR1 2316/4885PPARA 343/4885KLK7 3573/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC TACR1 2730/4885PPARA 169/4885KLK7 3789/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 TACR1 2610/4885PPARA 80/4885KLK7 3806/4885
US-20060258571-A1 Antibacterial ester macrocycles TECR, MRPL21, CYP51A1 TACR1 2875/4885PPARA 149/4885KLK7 2819/4885

“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.