SCHEMBL6344990

SCHEMBL6344990

Cc1ccccc1NC(=O)Nc1ccc(NC(=O)CC(CC(C)C)C(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ITGB1 P05556 9/20 0.49
ITGA4 P13612 9/20 0.49
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6346049 0.90 RAB9A (0.57) RAB9ANPC1ITGB3ITGA2BITGB1
SCHEMBL6354954 0.90 NPC1 (0.49) RAB9ANPC1ITGB3ITGA2BITGB1
SCHEMBL6782622 0.86 NPC1 (0.47) RAB9ANPC1ITGB3ITGA2BITGB1
SCHEMBL6343632 0.84 ITGB1 (0.60) ITGB3ITGA2BITGB1ITGA4SMN1; SMN2
SCHEMBL6343091 0.83 ITGB1 (0.58) ITGB1ITGA4
SCHEMBL3141465 0.82 NPC1 (0.50) RAB9ANPC1ITGB3ITGB1ITGA4
SCHEMBL6346248 0.81 RAB9A (0.56) RAB9ANPC1ITGB3ITGA2BITGB1
SCHEMBL6344910 0.80 ITGB1 (0.57) ITGB1ITGA4
SCHEMBL7462011 0.79 KMT2A (0.47) RAB9AITGB3ITGA2BITGB1ITGA4
SCHEMBL7472953 0.79 ITGB1 (0.51) RAB9ANPC1ITGB3ITGA2BITGB1

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 RAB9A 1779/4885NPC1 2649/4885ITGB3 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.