SCHEMBL5149753

SCHEMBL5149753

CC(C)(C)OC(=O)C1NC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
DGAT1 O75907 1/20 0.37
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
APLNR P35414 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL6161938 0.71 MAPK1 (0.34) MAPK1
SCHEMBL2425462 0.71 MAPK1 (0.34) MAPK1
SCHEMBL2425461 0.71 MAPK1 (0.34) MAPK1
SCHEMBL14919757 0.69 MAPK1 (0.35) MAPK1MEN1KMT2A
SCHEMBL17931820 0.69 MAPK1 (0.35) MAPK1MEN1KMT2AGAA
SCHEMBL18176808 0.69 MAPK1 (0.40) MAPK1DGAT1MEN1KMT2AGAA
SCHEMBL12309462 0.69 MAPK1 (0.40) MAPK1DGAT1MEN1KMT2AGAA
SCHEMBL7644596 0.68 MAPK1 (0.41) MAPK1DGAT1MEN1KMT2AHRH3
SCHEMBL16110089 0.68 MAPK1 (0.37) MAPK1DGAT1GAAHRH3
SCHEMBL295935 0.68 MAPK1 (0.41) MAPK1DGAT1MEN1KMT2AHRH3

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 5 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-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 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 MAPK1 1100/4885DGAT1 1027/4885RECQL 4883/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPK1 1430/4885DGAT1 998/4885RECQL 4883/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPK1 1178/4885DGAT1 1040/4885RECQL 4883/4885

“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.