SCHEMBL12435336

SCHEMBL12435336

CC(=O)NC(=O)C(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.39
TAS2R38 P59533 1/20 0.36
CA2 P00918 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
NFKB1 P19838 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL2220319 0.82
SCHEMBL12512722 0.78 CRBN (0.39) CRBNTAS2R38CA2KDM4EPTGS1
SCHEMBL10942414 0.77 CRBN (0.43) CRBNTAS2R38CA2KDM4EPTGS1
SCHEMBL8248262 0.76 CRBN (0.38) CRBNTAS2R38CA2KDM4EPTGS1
SCHEMBL3652416 0.76 CRBN (0.43) CRBNCA2CA1CA7CA14
SCHEMBL6517566 0.74
SCHEMBL29616779 0.74 DPP4 (0.48) CRBNTAS2R38CA2KDM4EPTGS1
SCHEMBL25458289 0.72
SCHEMBL29616787 0.72
SCHEMBL20717738 0.72

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-8846903-B2 Acyl-urea derivatives and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-30 US disclosed
US-20110178092-A1 HIV-1 Protease Inhibitors UNIVERSITY OF MARYLAND, COLLEGE PARK 2011-07-21 US disclosed
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-04 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-20110178092-A1 HIV-1 Protease Inhibitors SERPINB1, PRSS1, TMPRSS4 CRBN 3057/4885TAS2R38 4637/4885CA2 4117/4885
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF ABAT, HDAC6, ACAT1 CRBN 4602/4885TAS2R38 2841/4885CA2 2954/4885

“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.