SCHEMBL4864100

SCHEMBL4864100

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
PPARA Q07869 2/20 0.48
CTSS P25774 1/20 0.46
MAOB P27338 1/20 0.45
RAB9A P51151 1/20 0.44
PPARG P37231 1/20 0.44
SLC1A1 P43005 1/20 0.42
CA1 P00915 1/20 0.40
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
KLK7 P49862 1/20 0.39
KLK5 Q9Y337 1/20 0.39
BACE1 P56817 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL210653 0.89 L3MBTL1 (0.50) NPSR1L3MBTL1PPARACTSSMAOB
SCHEMBL210654 0.89 L3MBTL1 (0.50) NPSR1L3MBTL1PPARACTSSMAOB
SCHEMBL4859584 0.88 NPSR1 (0.47) NPSR1L3MBTL1PPARACTSSMAOB
SCHEMBL2473923 0.84 ATM (0.43) L3MBTL1CTSSBACE1HDAC3HDAC1
SCHEMBL6316889 0.84 ATM (0.43) L3MBTL1CTSSBACE1HDAC3HDAC1
SCHEMBL27489128 0.84 ATM (0.43) L3MBTL1CTSSBACE1HDAC3HDAC1
SCHEMBL22087770 0.83 NPSR1 (0.44) NPSR1L3MBTL1PPARACTSSMAOB
SCHEMBL4860811 0.83 NPSR1 (0.44) NPSR1L3MBTL1PPARACTSSMAOB
SCHEMBL9606810 0.83 L3MBTL1 (0.46) NPSR1L3MBTL1PPARACTSSMAOB
SCHEMBL1374797 0.83 PPARA (0.52) NPSR1L3MBTL1PPARACTSSMAOB

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 NPSR1 1734/4885L3MBTL1 4459/4885PPARA 122/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO NPSR1 2165/4885L3MBTL1 3825/4885PPARA 347/4885

“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.