SCHEMBL4868098

SCHEMBL4868098

CCCCC1CC(C=NOCc2ccccc2)(C(=O)OC)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 4/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CETP P11597 3/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4864220 0.91 CETP (0.38) TDP1L3MBTL1HTTCYP3A4MAPK1
SCHEMBL4864213 0.91 CETP (0.38) TDP1L3MBTL1HTTCYP3A4MAPK1
SCHEMBL4869758 0.82 ADAM17 (0.40) ADAM17HTTCYP3A4ALDH1A1NAMPT
SCHEMBL6231915 0.82 ADAM17 (0.40) ADAM17HTTCYP3A4ALDH1A1NAMPT
SCHEMBL4867943 0.80 METAP2 (0.38) ADAM17CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4867947 0.80 METAP2 (0.38) ADAM17CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4867956 0.80 METAP2 (0.38) ADAM17CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4864631 0.79 LMNA (0.40) ALDH1A1NAMPT
SCHEMBL4864635 0.79 LMNA (0.40) ALDH1A1NAMPT
SCHEMBL4868502 0.78 LMNA (0.39) CYP3A4TSHRALDH1A1NAMPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ADAM17 143/4885TDP1 505/4885L3MBTL1 1474/4885

“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.