SCHEMBL14558985

SCHEMBL14558985

CN(Cc1cccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.48
HTR2C P28335 4/20 0.45
SLC6A4 P31645 4/20 0.45
ABHD6 Q9BV23 1/20 0.40
AOC3 Q16853 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.37
MGLL Q99685 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HCRTR1 O43613 1/20 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
SCHEMBL3093481 0.84 GLS (0.49) GLSHTR2CSLC6A4ABHD6AOC3
SCHEMBL29334019 0.80 HTR2C (0.37) GLSHTR2CSLC6A4CTSLCTSB
SCHEMBL29333927 0.80 HTR2C (0.39) GLSHTR2CSLC6A4HDAC3HDAC1
SCHEMBL14558984 0.79 GLS (0.48) GLSCTSBCTSSMEN1KMT2A
SCHEMBL31294997 0.78 PAX8 (0.47) HTR2CSLC6A4MEN1KMT2AHDAC3
SCHEMBL7190668 0.78 RIPK1 (0.57) GLSHTR2CSLC6A4CTSLCTSB
SCHEMBL16616454 0.77 PDK2 (0.43) GLSHTR2CSLC6A4L3MBTL1
SCHEMBL14987121 0.77 GLS (0.56) GLSHTR2CSLC6A4ABHD6AOC3
SCHEMBL1831339 0.77 GLS (0.50) GLSHTR2CSLC6A4ABHD6AOC3
SCHEMBL8024443 0.77 MRGPRX4 (0.38)

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GLS 2132/4885HTR2C 4542/4885SLC6A4 2165/4885

“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.