SCHEMBL3944824

SCHEMBL3944824

CC(C)Oc1ccc(C#Cc2ccccc2)cc1C(=O)NC(CO)Cc1c[nH]c2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
VCP P55072 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKACA P17612 2/20 0.37
GSK3B P49841 2/20 0.37
PRKX P51817 2/20 0.37
LIMK1 P53667 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
RPS6KA5 O75582 1/20 0.37
RPS6KA4 O75676 1/20 0.37
MAPK1 P28482 1/20 0.37
PRKG1 Q13976 1/20 0.37
GPR84 Q9NQS5 2/20 0.36

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
SCHEMBL13911144 1.00 ITGB2 (0.42) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL13911141 0.92 ROCK2 (0.38) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL3941491 0.92 ROCK2 (0.38) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL13945806 0.90 MMP9 (0.47) ITGB2ICAM1ITGALMMP2MMP9
SCHEMBL4737690 0.90 AKT1 (0.47) ITGB2ICAM1ITGALMMP2MMP9
SCHEMBL3938667 0.87 ITGB2 (0.46) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL4633692 0.86 ITGB2 (0.43) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL4634204 0.86 HDAC3 (0.41) ITGB2ICAM1ITGALROCK2ROCK1
SCHEMBL4738214 0.86 MAPT (0.47) ITGB2ICAM1ITGALMMP2MMP9
SCHEMBL3943026 0.86 ITGB2 (0.41) ITGB2ICAM1ITGALROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US claimed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 ITGB2 499/4885ICAM1 1630/4885ITGAL 574/4885

“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.