SCHEMBL6345157

SCHEMBL6345157

COc1ccc(C(CC(=O)O)NC(=O)C(O)CC(=O)Nc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.63
ITGA4 P13612 9/20 0.63
POLB P06746 2/20 0.52
ITGB7 P26010 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL6343898 0.91 ITGB1 (0.63) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6348051 0.90 ITGB1 (0.62) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6786166 0.90 ITGB1 (0.61) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6344042 0.89 ITGB1 (0.67) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6343632 0.88 ITGB1 (0.60) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6346579 0.84 ITGB1 (0.55) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6788617 0.84 ITGB1 (0.58) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL5896625 0.83 ITGB1 (0.58) ITGB1ITGA4POLBITGB7SMN1; SMN2
SCHEMBL6353720 0.83 POLB (0.58) ITGB1ITGA4POLBSMN1; SMN2ITGB3
SCHEMBL6353998 0.83 ITGB1 (0.61) ITGB1ITGA4POLBITGB7SMN1; SMN2

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 ITGB1 11/4885ITGA4 37/4885POLB 4750/4885

“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.