SCHEMBL5520698

SCHEMBL5520698

[CH2]C(C(=O)N1CCOCC1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL3958979 1.00 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL3951101 0.98 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL3955574 0.98 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL8394923 0.79 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL5483365 0.79 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL8225692 0.77 DPP4 (0.59) ALDH1A1
SCHEMBL8396251 0.77 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL8396956 0.77 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL3951076 0.77 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1TP53
SCHEMBL8392553 0.75 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1TP53

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 4 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
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US 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 ALDH1A1 3425/4885MAPT 1035/4885KMT2A 4050/4885

“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.