SCHEMBL3948554

SCHEMBL3948554

C=CCN(C(=O)O)[C@H](C=C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.31
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3954228 0.81
SCHEMBL2941786 0.79 KMT2A (0.39) KMT2AMEN1ALDH1A1DPP4KDM4E
SCHEMBL368598 0.78 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1DPP4KDM4E
SCHEMBL3946398 0.76 MEN1 (0.33) KMT2AMEN1DPP4
SCHEMBL2721038 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4663815 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21403663 0.73 LMNA (0.33) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL18148922 0.73 KMT2A (0.35) KMT2AMEN1ALDH1A1DPP4KDM4E
SCHEMBL22283207 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9509560 0.71 MEN1 (0.33) KMT2AMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF KMT2A 3612/4885MEN1 4571/4885ALDH1A1 2060/4885

“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.