SCHEMBL5651727

SCHEMBL5651727

CC(C)(C)OC(=O)NN1CCC=C(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.39
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 6/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAMPT P43490 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
SCHEMBL5649603 0.88 LIPE (0.38) LIPESIGMAR1DRD2NFKB1NFKB2
SCHEMBL20605302 0.80 LIPE (0.40) LIPEDRD2NFKB1NFKB2RELA
SCHEMBL4947670 0.75 ESR2 (0.44) MEN1ALDH1A1KMT2ALMNACHRM2
SCHEMBL29179933 0.74 LIPE (0.38) LIPECTSDCTSLCTSBCTSS
SCHEMBL5651392 0.73 SMN1; SMN2 (0.39) MEN1ALDH1A1KMT2ATHRB
SCHEMBL1857739 0.70 LIPE (0.46) LIPEDRD2NFKB1NFKB2RELA
SCHEMBL1430236 0.69 LIPE (0.36) LIPECTSDCTSLCTSBCTSS
SCHEMBL26134753 0.69 USP2 (0.44) MEN1ALDH1A1KMT2ALMNACHRM2
SCHEMBL477283 0.68 LIPE (0.42) LIPECTSLCTSBL3MBTL1
SCHEMBL1576452 0.68 CTSK (0.40) LIPECTSLCTSBNFKB1NFKB2

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 LIPE 3616/4885CTSD 1078/4885CTSL 663/4885

“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.