SCHEMBL5153734

SCHEMBL5153734

COC(=O)c1ccc([C@@H]2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CN2C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
NR1H2 P55055 14/20 0.42
NR1H3 Q13133 5/20 0.42
ACACB O00763 1/20 0.39
KAT6A Q92794 1/20 0.39
RXRA P19793 3/20 0.37

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
SCHEMBL5150263 0.85 NR1H2 (0.46) NR1H2NR1H3RXRA
SCHEMBL6209025 0.81 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL5153251 0.80 HTR4 (0.46) NR1H2NR1H3
SCHEMBL5153357 0.77 PDE4B (0.44) NR1H2NR1H3
SCHEMBL5153880 0.77 PDE4B (0.44) NR1H2NR1H3RXRA
SCHEMBL6542920 0.77 PDE4B (0.40) NR1H2NR1H3RXRA
SCHEMBL5150005 0.76 PDE4B (0.44) NR1H2NR1H3RXRA
SCHEMBL5153201 0.76 PDE4B (0.44) NR1H2NR1H3RXRA
SCHEMBL30476477 0.75 ACACB (0.44) L3MBTL1NR1H2NR1H3ACACB
SCHEMBL5152402 0.75 POLB (0.46) L3MBTL1NR1H2NR1H3ACACBKAT6A

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-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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 L3MBTL1 703/4885NR1H2 2538/4885NR1H3 2098/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 L3MBTL1 503/4885NR1H2 2668/4885NR1H3 2310/4885

“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.