SCHEMBL14027296

SCHEMBL14027296

CCOC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2C)cc1)C(=O)OCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.55
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
ESR1 P03372 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
MAPT P10636 1/20 0.47
CHRM1 P11229 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
ACHE P22303 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12692389 0.87 DHFR (0.55) DHFR
SCHEMBL10378409 0.82 DHFR (0.50) DHFRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6342445 0.81 DHFR (0.62) DHFRALDH1A1HPGDMEN1ESR1
SCHEMBL10379119 0.81 DHFR (0.49) DHFRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8323453 0.81 DHFR (0.52) DHFR
SCHEMBL8323452 0.81 DHFR (0.52) DHFR
SCHEMBL8328282 0.80 DHFR (0.54) DHFR
SCHEMBL8328276 0.80 DHFR (0.54) DHFR
SCHEMBL10379292 0.80 DHFR (0.49) DHFRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10378274 0.80 DHFR (0.48) DHFRALDH1A1HPGDKDM4EHSD17B10

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
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 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 (2 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 DHFR 3956/4885ALDH1A1 4299/4885HPGD 4600/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 DHFR 4042/4885ALDH1A1 3838/4885HPGD 2848/4885

“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.