SCHEMBL4863387

SCHEMBL4863387

CC(C)(C)OC(=O)CN[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.63
PPARG P37231 2/20 0.58
CTSS P25774 1/20 0.54
FOLH1 Q04609 1/20 0.49
MME P08473 1/20 0.46
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
ACE P12821 1/20 0.42
RAB9A P51151 1/20 0.42
SLC1A1 P43005 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
PTPN11 Q06124 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1414344 1.00 PPARA (0.63) PPARAPPARGCTSSFOLH1MME
SCHEMBL6318413 1.00 PPARA (0.63) PPARAPPARGCTSSFOLH1MME
SCHEMBL8070441 0.91 PPARA (0.56) PPARAPPARGCTSSFOLH1KLK7
SCHEMBL1414515 0.90 PPARA (0.55) PPARAPPARGCTSSFOLH1KLK7
SCHEMBL2476918 0.84 ACE (0.54) PPARAPPARGCTSSMMEACE
SCHEMBL3268059 0.84 ACE (0.54) PPARAPPARGCTSSMMEACE
SCHEMBL3026223 0.84 ACE (0.54) PPARAPPARGCTSSMMEACE
SCHEMBL14058223 0.83 PPARA (0.62) PPARAPPARGCTSSFOLH1MME
SCHEMBL7592364 0.83 PPARA (0.50) PPARAPPARGCTSSFOLH1MME
SCHEMBL7588488 0.82 FOLH1 (0.59) PPARAPPARGCTSSFOLH1MME

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
EP-1301472-B1 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER LAMBERT CO (US) 2014-03-26 EP disclosed
US-7411001-B2 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2008-08-12 US disclosed
US-6960614-B2 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY (US) 2005-11-01 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
EP-1301472-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2003-04-16 EP disclosed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 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 (2 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 PPARA 122/4885PPARG 113/4885CTSS 2472/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO PPARA 347/4885PPARG 541/4885CTSS 2240/4885

“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.