SCHEMBL1859341

SCHEMBL1859341

CCOC(=O)C(Cc1cccc(I)c1)(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 3/20 0.53
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
ACP1 P24666 1/20 0.43
MMP8 P22894 1/20 0.41
AKT1 P31749 2/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SYK P43405 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
THRB P10828 1/20 0.35
KLK5 Q9Y337 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL3177498 0.86 AKT1 (0.41) PTPRBALDH1A1RECQLAKT1PPARA
SCHEMBL4664433 0.85 ALDH1A1 (0.72) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL13479109 0.84 ALDH1A1 (0.52) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL17579880 0.83 PTPRB (0.56) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL17579912 0.82 PTPRB (0.50) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL17580362 0.81 PTPRB (0.54) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL17580470 0.81 PTPRB (0.48) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL28914988 0.80 ALDH1A1 (0.65) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL1024143 0.80 ALDH1A1 (0.47) PTPRBALDH1A1RECQLPTPN2PTPN1
SCHEMBL18982870 0.79 MMP8 (0.46) ALDH1A1RECQLMMP8PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 US disclosed
EP-1697400-A1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AiCuris GmbH & Co. KG (DE) 2006-09-06 EP disclosed
WO-2005058943-A1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO. KG (DE) 2005-06-30 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-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 PTPRB 321/4885ALDH1A1 2817/4885RECQL 510/4885

“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.