SCHEMBL14028487

SCHEMBL14028487

NC(Cc1cccc(CP(=O)(O)Cc2cccc(CC(N)C(=O)O)c2)c1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
PTGS1 P23219 1/20 0.59
XIAP P98170 1/20 0.59
MAPK1 P28482 1/20 0.59
GRIA2 P42262 1/20 0.56
NOS3 P29474 2/20 0.55
NOS1 P29475 2/20 0.55
NOS2 P35228 2/20 0.55
GRM8 O00222 1/20 0.54
GRM6 O15303 1/20 0.54
GRM4 Q14833 1/20 0.54

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
SCHEMBL6021374 0.91 MAPK1 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL499205 0.91 MAPK1 (0.66) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9152009 0.89 MAPK1 (0.64) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9151999 0.89 MAPK1 (0.64) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2314258 0.87 SLC7A5 (0.77) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9150583 0.82 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9150578 0.82 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9154305 0.81 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9154302 0.81 SLC7A5 (0.59) SLC7A5ALPIPKMPTGS1XIAP
Tetrahydrofuran SCHEMBL9164887 0.81 MAPK1 (0.56) SLC7A5ALPIPKMPTGS1XIAP

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 SLC7A5 2776/4885ALPI 976/4885PKM 2860/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 SLC7A5 3563/4885ALPI 3562/4885PKM 3643/4885

“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.