SCHEMBL5151940

SCHEMBL5151940

CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.40
PARP1 P09874 1/20 0.36
ABCB1 P08183 1/20 0.36
HTRA1 Q92743 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
SMYD2 Q9NRG4 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
SCHEMBL6543144 1.00 SRC (0.40) SRCPARP1ABCB1HTRA1MEN1
SCHEMBL5152054 1.00 SRC (0.40) SRCPARP1ABCB1HTRA1MEN1
SCHEMBL15345576 0.90 CYP1A2 (0.41) SRCPARP1ABCB1MEN1KMT2A
SCHEMBL5150301 0.90 CYP1A2 (0.41) SRCPARP1ABCB1MEN1KMT2A
SCHEMBL28396275 0.90 CYP1A2 (0.41) SRCPARP1ABCB1MEN1KMT2A
SCHEMBL5152627 0.90 CYP1A2 (0.41) SRCPARP1ABCB1MEN1KMT2A
SCHEMBL5152621 0.90 CYP1A2 (0.41) SRCPARP1ABCB1MEN1KMT2A
SCHEMBL29035403 0.90 CYP1A2 (0.41) SRCPARP1ABCB1MEN1KMT2A
SCHEMBL25568127 0.90 TACR1 (0.40) SRCPARP1MEN1KMT2ANR1H2
SCHEMBL25568111 0.90 TACR1 (0.40) SRCPARP1MEN1KMT2ANR1H2

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-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
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 SRC 2590/4885PARP1 1980/4885ABCB1 1901/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 SRC 2660/4885PARP1 1957/4885ABCB1 2174/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 SRC 2615/4885PARP1 1994/4885ABCB1 2028/4885

“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.