SCHEMBL4195563

SCHEMBL4195563

CCC(=O)Oc1c(Nc2nc(N(CC)CC)ncc2NCCS(=O)(=O)c2ccc(F)c(F)c2)cccc1OC(=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.35
ITGA4 P13612 6/20 0.35
ITGB7 P26010 4/20 0.33
ITGAV P06756 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL4203929 0.89 ITGB1 (0.35) ITGB1ITGA4ITGB7BRAF
SCHEMBL4206085 0.88 ITGB1 (0.35) ITGB1ITGA4ITGB7BRAF
SCHEMBL2809357 0.86 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAVBRAF
SCHEMBL4204707 0.85 ITGB1 (0.36) ITGB1ITGA4ITGB7BRAF
SCHEMBL4210082 0.85 ITGB1 (0.37) ITGB1ITGA4ITGB7ITGAVBRAF
Hydrochloric Acid SCHEMBL4192130 0.85 ITGB1 (0.37) ITGB1ITGA4ITGB7ITGAVBRAF
SCHEMBL2770073 0.84 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4196939 0.84 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAVBRAF
SCHEMBL2770376 0.83 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4203924 0.83 ITGB1 (0.35) ITGB1ITGA4ITGB7

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-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 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-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885

“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.