SCHEMBL5156955

SCHEMBL5156955

CC(C)(C)OC(=O)N1CC(Br)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ABCB1 P08183 1/20 0.36
RORC P51449 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
PARP1 P09874 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL5156962 1.00 SRC (0.39) SRCJAK2JAK1ABCB1RORC
SCHEMBL5152621 0.89 CYP1A2 (0.41) SRCJAK2JAK1ABCB1MEN1
SCHEMBL5152627 0.89 CYP1A2 (0.41) SRCJAK2JAK1ABCB1MEN1
SCHEMBL29035403 0.89 CYP1A2 (0.41) SRCJAK2JAK1ABCB1MEN1
SCHEMBL28396275 0.89 CYP1A2 (0.41) SRCJAK2JAK1ABCB1MEN1
SCHEMBL5150301 0.89 CYP1A2 (0.41) SRCJAK2JAK1ABCB1MEN1
SCHEMBL15345576 0.89 CYP1A2 (0.41) SRCJAK2JAK1ABCB1MEN1
SCHEMBL13309095 0.88 SRC (0.38) SRCJAK2JAK1ABCB1MEN1
SCHEMBL5151940 0.88 SRC (0.40) SRCJAK2JAK1ABCB1MEN1
SCHEMBL5152054 0.88 SRC (0.40) SRCJAK2JAK1ABCB1MEN1

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 3 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
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 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 (2 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 SRC 2660/4885JAK2 897/4885JAK1 1444/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 SRC 2615/4885JAK2 910/4885JAK1 1409/4885

“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.