SCHEMBL4051005

SCHEMBL4051005

CCC(OC(N)=O)C(=O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
XDH P47989 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 3/20 0.40
ANO1 Q5XXA6 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SENP7 Q9BQF6 2/20 0.39
FFAR2 O15552 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 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
SCHEMBL5517471 1.00 MAPT (0.42) MAPTLMNACYP1A2THRBALOX15
SCHEMBL3959052 0.83 XDH (0.46) XDHTP53KDM4ENPC1RAB9A
SCHEMBL3955590 0.83 XDH (0.46) XDHTP53KDM4ENPC1RAB9A
SCHEMBL4048932 0.80 XDH (0.42) MAPTMEN1KMT2AXDHTP53
SCHEMBL5523280 0.80 XDH (0.42) MAPTMEN1KMT2AXDHTP53
SCHEMBL5519385 0.79 DAGLA (0.43) XDHTP53HSF1
SCHEMBL4048197 0.79 DAGLA (0.43) XDHTP53HSF1
SCHEMBL5522129 0.77 DAGLA (0.42) XDHRAB9ATAS1R3TAS1R1HSF1
SCHEMBL5522116 0.77 DAGLA (0.42) XDHRAB9ATAS1R3TAS1R1HSF1
SCHEMBL2701430 0.75 MAPT (0.57) MAPTLMNACYP1A2THRBALOX15

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 MAPT 1035/4885LMNA 648/4885CYP1A2 2374/4885

“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.