SCHEMBL4053918

SCHEMBL4053918

CCCC(C)(CC(=O)O)C(C)c1nc(CCCCNc2ccccn2)no1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.46
ITGAV P06756 16/20 0.46
ITGA2B P08514 5/20 0.46
ITGB1 P05556 3/20 0.39
ITGB5 P18084 2/20 0.39
ITGB6 P18564 2/20 0.39
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGA5 P08648 1/20 0.36

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
SCHEMBL2839645 0.93 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2842133 0.82 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2834629 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL4053910 0.81 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2839643 0.80 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2838647 0.80 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2836558 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL5856850 0.78 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2839453 0.76 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2838017 0.76 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2018-12-06 US disclosed
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 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-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC ITGB3 1/4885ITGAV 16/4885ITGA2B 4/4885

“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.