SCHEMBL14028320

SCHEMBL14028320

CCOC(=O)CCC(NC(=O)c1ccc(N(C)Cc2ccc3nc(N)nc(O)c3c2)cc1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.57
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TYMS P04818 1/20 0.45

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
SCHEMBL10828966 0.88 DHFR (0.59) DHFRTYMS
SCHEMBL10828968 0.88 DHFR (0.59) DHFRTYMS
SCHEMBL10828701 0.88 DHFR (0.53) DHFRTYMS
SCHEMBL10828697 0.88 DHFR (0.53) DHFRTYMS
SCHEMBL10828694 0.88 DHFR (0.59) DHFRTYMS
SCHEMBL10828745 0.88 DHFR (0.50) DHFRTYMS
SCHEMBL10828695 0.88 DHFR (0.59) DHFRTYMS
SCHEMBL10828741 0.88 DHFR (0.50) DHFRTYMS
SCHEMBL10828954 0.87 DHFR (0.48) DHFRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10828952 0.87 DHFR (0.48) DHFRKDM4EALDH1A1HPGDHSD17B10

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-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 DHFR 4042/4885KDM4E 4569/4885ALDH1A1 3838/4885

“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.