SCHEMBL6352863

SCHEMBL6352863

O=C(O)CC(NC(=O)CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.74
ITGA2B P08514 10/20 0.74
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
ITGAV P06756 3/20 0.49
ITGB5 P18084 1/20 0.48
ITGB6 P18564 1/20 0.48
ITGB8 P26012 1/20 0.48

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
SCHEMBL6980684 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6980709 0.84 ITGB3 (0.71) ITGB3ITGA2BPOLBITGAVITGB5
SCHEMBL7834692 0.82 ITGB3 (0.54) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL6346049 0.80 RAB9A (0.57) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL3141349 0.80 ITGB3 (0.58) ITGB3ITGA2BRAB9AMEN1KMT2A
SCHEMBL5151908 0.79 ITGB3 (0.57) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL688684 0.79 ITGB3 (0.53) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL27182521 0.78 ITGB3 (0.56) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL6344990 0.77 RAB9A (0.54) ITGB3ITGA2BRAB9ANPC1MEN1
SCHEMBL686712 0.76 ITGB3 (0.52) ITGB3ITGA2BRAB9ANPC1MEN1

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-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US claimed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ITGB3 21/4885ITGA2B 23/4885RAB9A 1779/4885

“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.