SCHEMBL20575628

SCHEMBL20575628

O=C(O)CC(c1cccnc1)[S+]([O-])c1ccc(NC(=O)c2cccc(NC3=CCCCN3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.42
ITGAV P06756 12/20 0.42
ITGA2B P08514 12/20 0.42
ITGB1 P05556 6/20 0.39
ITGB5 P18084 6/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
NAMPT P43490 1/20 0.37
EPHX2 P34913 1/20 0.37
KCNK3 O14649 1/20 0.37
BRAF P15056 1/20 0.37
SUCNR1 Q9BXA5 2/20 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
SCHEMBL20574506 0.94 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL20575157 0.93 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL20574531 0.92 ITGB3 (0.42) ITGB3ITGAVITGA2BADRB2ADRB1
SCHEMBL20575094 0.89 ITGB3 (0.42) ITGB3ITGAVITGA2BADRB2ADRB1
SCHEMBL20575045 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BADRB2ADRB1
SCHEMBL2841957 0.87 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL20575184 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2835455 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL20575083 0.84 MEN1 (0.36) ITGB3ITGAVITGA2B
SCHEMBL20575617 0.84 ITGB3 (0.42) 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 1 patent. 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

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.