SCHEMBL4524464

SCHEMBL4524464

COC(=O)C(Cc1ccc(B(O)O)cc1)NC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.52
ITGA4 P13612 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 2/20 0.47
ITGB3 P05106 4/20 0.46
ITGAV P06756 4/20 0.46
ITGA5 P08648 4/20 0.46
ITGA2B P08514 2/20 0.46
LNPEP Q9UIQ6 1/20 0.46
NLRP3 Q96P20 4/20 0.45
LCK P06239 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8230999 1.00 ITGB1 (0.52) ITGB1ITGA4L3MBTL1ATMITGB3
SCHEMBL13762119 0.89 L3MBTL1 (0.58) ITGB1ITGA4L3MBTL1ATMITGB3
SCHEMBL4527614 0.88 ITGB1 (0.62) ITGB1ITGA4L3MBTL1ITGB3ITGAV
SCHEMBL4522154 0.85 HDAC1 (0.58) ITGB1ITGA4L3MBTL1ATMITGB3
SCHEMBL13927753 0.85 L3MBTL1 (0.61) ITGB1ITGA4L3MBTL1ATMNLRP3
SCHEMBL4194979 0.82 NLRP3 (0.59) ITGB1ITGA4L3MBTL1ATMITGB3
SCHEMBL8232058 0.82 NLRP3 (0.59) ITGB1ITGA4L3MBTL1ATMITGB3
SCHEMBL13755101 0.80 ITGB1 (0.51) ITGB1ITGA4L3MBTL1ATMITGB3
SCHEMBL25718384 0.79 GAA (0.61) L3MBTL1ATMLNPEPALDH1A1POLB
SCHEMBL25718402 0.79 ALDH1A1 (0.57) ATMLNPEPHDAC1HDAC6ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US disclosed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO disclosed

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-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 ITGB1 2/4885ITGA4 15/4885L3MBTL1 4221/4885

“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.