SCHEMBL6792265

SCHEMBL6792265

COc1ccc(C(CC(=O)O)CC(=O)C(CC(=O)NCc2ccc(NC(=O)Nc3ccccc3C)cc2)CC(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.51
ITGA4 P13612 14/20 0.51
ITGB7 P26010 1/20 0.49
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.43
HTT P42858 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
SCHEMBL6340867 0.88 ITGB1 (0.58) ITGB1ITGA4ITGB7PLA2G1BATG4B
SCHEMBL6344233 0.79 ITGB1 (0.59) ITGB1ITGA4ITGB7
SCHEMBL6343091 0.79 ITGB1 (0.58) ITGB1ITGA4ITGB7FNTAFNTB
SCHEMBL6354021 0.72 PLA2G1B (0.59) PLA2G1BATG4BNPC1
SCHEMBL5700942 0.71 ITGB1 (0.85) ITGB1ITGA4
SCHEMBL6346137 0.71 FNTA (0.51) ITGB1ITGA4ITGB7FNTAFNTB
SCHEMBL6354954 0.71 NPC1 (0.49) ITGB1ITGA4ITGB7NPC1RAB9A
SCHEMBL17079626 0.71 RAB9A (0.73) NPC1RAB9AHTT
SCHEMBL7381017 0.71 PPARA (0.54) ITGB1ITGA4NPC1RAB9A
SCHEMBL6343632 0.70 ITGB1 (0.60) 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-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 37/4885ITGB7 34/4885

“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.