SCHEMBL7555650

SCHEMBL7555650

O=C(O)CC(c1nc2ccccc2[nH]1)N1CCN(CCCC2=CC=C3CCCNC3N2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB8 P26012 6/20 0.44
ITGB6 P18564 5/20 0.44
ITGA5 P08648 4/20 0.44
ITGAV P06756 11/20 0.42
ITGB3 P05106 9/20 0.42
ITGB1 P05556 1/20 0.39
ITGA2B P08514 1/20 0.39
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7594404 1.00 ITGB8 (0.44) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7596620 1.00 ITGB8 (0.44) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7595308 0.91 ITGAV (0.46) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7593605 0.91 ITGAV (0.46) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7590552 0.85 ITGAV (0.43) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7590648 0.85 ITGAV (0.43) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7557082 0.85 ITGAV (0.43) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7589610 0.85 ITGAV (0.47) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL7591361 0.85 ITGAV (0.47) ITGB8ITGB6ITGA5ITGAVITGB3
SCHEMBL4382525 0.85 ITGB3 (0.46) ITGB8ITGB6ITGA5ITGAVITGB3

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-20020049228-A1 2-Sulfamoylbenzoic acid derivatives KAKEN PHARMACEUTICALS 2002-04-25 US claimed
US-6255321-B1 ANTIALLERGENS; RESPIRATRORY SYSTEM DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 2001-07-03 US claimed

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-20020049228-A1 2-Sulfamoylbenzoic acid derivatives LTB4R2, LTB4R, CYSLTR2 ITGB8 1058/4885ITGB6 516/4885ITGA5 675/4885

“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.