SCHEMBL5407627

SCHEMBL5407627

Cc1[nH]c(=O)[nH]c1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
GAA P10253 1/20 0.42
IDE P14735 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IGF1R P08069 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL5419895 0.78 GAA (0.46) NSD2ABL1GAAIDERIN1
SCHEMBL7342972 0.77 PDE3B (0.45) IGF1RPDE4APDE4BPDE4CPDE4D
SCHEMBL6321766 0.74 CYP1A2 (0.58) IGF1RCYP1A2CYP3A4CYP2C9HPGD
SCHEMBL3017686 0.74 CYP1A2 (0.58) NSD2ABL1GAAIDERIN1
SCHEMBL3027360 0.70 GAA (0.55) NSD2ABL1GAAIDERIN1
SCHEMBL10877244 0.70 L3MBTL1 (0.50) NSD2ABL1GAAIDERIN1
SCHEMBL9786600 0.69 NSD2 (0.42) NSD2ABL1GAAIDERIN1
SCHEMBL13983006 0.69 ALDH1A1 (0.63) L3MBTL1IGF1RCYP1A2CYP3A4HPGD
SCHEMBL9786590 0.69 L3MBTL1 (0.48) NSD2ABL1GAAIDERIN1
SCHEMBL28601405 0.69 GABRA1 (0.42) GAATDP1TSHRHSD17B10GLA

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 9 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-0169164-B1 IMIDAZOLONECARBONYLARYLIMIDAZOLES; METHOD OF MANUFACTURE, METHOD OF USE AND COMPOSITIONS USEFUL THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1990-01-31 EP disclosed
EP-0078545-B1 IMIDAZOLECARBOXYLIC ACID DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-02-03 EP disclosed
US-4709043-A Process for the preparation of imidazolonecarbonylarylimidazoles SCHERING A.G. (DE) 1987-11-24 US disclosed
EP-0169164-A1 Imidazolonecarbonylarylimidazoles; method of manufacture, method of use and compositions useful thereof SCHERING AKTIENGESELLSCHAFT (DE) 1986-01-22 EP disclosed
US-4556665-A Cardiotonic 1,3-dihydro-4-[[(imidazol-1-yl)aryl]carbonyl]imidazol-2-ones SCHERING A.G. (DE) 1985-12-03 US 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 NSD2 3951/4885ABL1 1895/4885GAA 144/4885

“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.