SCHEMBL15317804

SCHEMBL15317804

NCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON)C(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.65
ITGAV P06756 6/20 0.65
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
MC4R P32245 5/20 0.48
MC5R P33032 5/20 0.48
MC3R P41968 5/20 0.48
MC1R Q01726 5/20 0.48
GRB7 Q14451 2/20 0.48
ITGB5 P18084 3/20 0.48
CTSG P08311 2/20 0.46
PLAU P00749 1/20 0.44
ITGA2B P08514 2/20 0.43
KLKB1 P03952 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL15591110 0.96 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL11928877 0.95 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14090937 0.94 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL18505848 0.94 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13870357 0.93 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13870347 0.93 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL9908265 0.93 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13531889 0.91 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13014849 0.89 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13014846 0.89 ITGB3 (0.58) ITGB3ITGAVITGB1ITGA5MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274436-A1 USE OF ANILINE IN THE RADIOSTABILIZATION OF OXIME LIGATION GE HEALTHCARE LIMITED (GB) 2013-10-17 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-20130274436-A1 USE OF ANILINE IN THE RADIOSTABILIZATION OF OXIME LIGATION INMT, LIG4, LIG3 ITGB3 1881/4885ITGAV 3286/4885ITGB1 2718/4885

“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.