SCHEMBL6794878

SCHEMBL6794878

Cc1ccccc1NC(=O)Nc1ccc(NC(=O)CCC(=O)NC(C)CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.62
ITGA4 P13612 11/20 0.62
ITGB3 P05106 3/20 0.58
ITGA2B P08514 1/20 0.58
ITGAV P06756 2/20 0.50
ITGA5 P08648 1/20 0.50
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
DDX3X O00571 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PYGL P06737 1/20 0.47

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
SCHEMBL6786428 0.89 ITGB3 (0.67) ITGB3ITGA2BRAB9AMAPTNPC1
SCHEMBL6343959 0.88 RAB9A (0.56) ITGB1ITGA4ITGB3ITGA2BITGAV
SCHEMBL6345159 0.87 ITGB1 (0.61) ITGB1ITGA4ITGB3ITGAVITGA5
SCHEMBL6344910 0.84 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL6344070 0.83 ITGB3 (0.60) ITGB1ITGA4ITGB3ITGA2BITGAV
SCHEMBL6355729 0.80 ITGB3 (0.69) ITGB1ITGA4ITGB3ITGA2BITGAV
SCHEMBL7466957 0.78 ITGB1 (0.66) ITGB1ITGA4
SCHEMBL6344042 0.78 ITGB1 (0.67) ITGB1ITGA4ITGB3ITGA2BSMN1; SMN2
SCHEMBL6344057 0.78 DDX3X (0.49) ITGB1ITGA4DDX3XSMN1; SMN2
SCHEMBL16568535 0.78 MAOA (0.46) ITGB1ITGA4ITGB3ITGA2BRAB9A

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-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 ITGB1 11/4885ITGA4 37/4885ITGB3 21/4885

“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.