SCHEMBL84224

SCHEMBL84224

COC(=O)CC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.36
LATS1 O95835 1/20 0.35
APLNR P35414 1/20 0.35
CTSK P43235 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL27426176 0.90 CYP2D6 (0.41) CA12CA14CA2TDP1DGAT1
SCHEMBL15621423 0.85 MGAM (0.42) CA12CA14CA2GAAMEN1
SCHEMBL15903847 0.83 CYP1A2 (0.46) CA12CA14CA2CA1CA7
SCHEMBL22520936 0.83 CA2 (0.40) CA12CA14CA2TDP1DGAT1
SCHEMBL27437826 0.82 CA2 (0.40) CA12CA14CA2TDP1CA1
SCHEMBL1401158 0.82 MEN1 (0.44) CA12CA14CA2TDP1CA1
SCHEMBL1233866 0.82 TDP1 (0.39) CA12CA14CA2TDP1DGAT1
SCHEMBL31267880 0.81 CYP2D6 (0.38) CA12CA14CA2TDP1DGAT1
SCHEMBL22904654 0.81 CA12 (0.44) CA12CA14CA2TDP1DGAT1
SCHEMBL19154313 0.80 TDP1 (0.38) CA12CA14CA2TDP1DGAT1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300578-B Compounds for the treatment of respiratory diseases in cattle or pigs 英特维特国际股份有限公司 2022-12-13 CN disclosed
EP-2831075-B1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2017-11-08 EP disclosed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
US-8962843-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole beta-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8962844-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole β-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 US disclosed
US-20150031665-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-01-29 US disclosed
US-8940897-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole β-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8933232-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole beta-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933233-B2 1,3,4-oxadiazole and 1,3,4-thiadiazole β-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1912972-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-09-28 EP disclosed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 US disclosed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 US disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US disclosed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 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 (5 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-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B CA12 4624/4885CA14 4634/4885CA2 2598/4885
US-20150031665-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS BTD, BLVRB, PEPD CA12 4597/4885CA14 4531/4885CA2 3945/4885
US-20150031659-A1 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE BETA-LACTAMASE INHIBITORS BTD, BLVRB, BBOX1 CA12 4560/4885CA14 4527/4885CA2 3877/4885
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 CA12 3915/4885CA14 2947/4885CA2 3748/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 CA12 3915/4885CA14 2947/4885CA2 3748/4885

“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.