SCHEMBL5409743

SCHEMBL5409743

CC(=O)C(N)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.33
SLC7A5 Q01650 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 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
SCHEMBL1353684 0.87 NOS1 (0.39) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL28113585 0.86 NOS1 (0.36) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL7936428 0.82 NOS1 (0.34) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL5209072 0.81 ALDH1A1 (0.39) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL16340968 0.81 NOS1 (0.39) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL221769 0.81 ALDH1A1 (0.39) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL523836 0.79 DGAT1 (0.41) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL27549577 0.79 NOS1 (0.35) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL27572159 0.77 NOS1 (0.37) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL29019393 0.77 NOS1 (0.39) NOS1NOS3NOS2LMNAKMT2A

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-7211671-B2 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 US disclosed
EP-0078545-B1 IMIDAZOLECARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-02-03 EP disclosed
US-4418071-A Cardiotonic imidazolecarboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-11-29 US disclosed
EP-0078545-A1 Imidazolecarboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-11 EP 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 (1 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-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, ADAM33, ADAM8 NOS1 267/4885NOS3 275/4885NOS2 443/4885

“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.