SCHEMBL4051007

SCHEMBL4051007

NC(=O)OCCCC(=O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.44
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
XDH P47989 1/20 0.42
FAAH O00519 3/20 0.41
CES1 P23141 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3955586 0.83 DAGLA (0.60) DAGLAMAPTLMNAXDHFAAH
SCHEMBL5522120 0.82 DAGLA (0.62) DAGLAXDHFAAHCES1
SCHEMBL4049877 0.79 DAGLA (0.62) DAGLAMAPTLMNAXDHFAAH
SCHEMBL4048199 0.79 DAGLA (0.60) DAGLAXDHFAAHCES1
SCHEMBL4048936 0.79 DAGLA (0.44) DAGLAMAPTXDHFAAHCES1
SCHEMBL2701430 0.76 MAPT (0.57) MAPTMAPK1LMNACYP1A2THRB
SCHEMBL4046625 0.75 DAGLA (0.62) DAGLAFAAHCES1
SCHEMBL5095572 0.75 MEN1 (0.51) MAPTMAPK1LMNACYP1A2THRB
SCHEMBL4050534 0.75 DAGLA (0.55) DAGLAMAPTLMNAXDHFAAH
SCHEMBL27654631 0.74 MAPT (0.58) MAPTMAPK1LMNACYP1A2THRB

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-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 EP disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF DAGLA 2256/4885MAPT 1035/4885MAPK1 3661/4885

“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.