SCHEMBL2891863

SCHEMBL2891863

CS(=O)(=O)Nc1ccc(C(N)=NO)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
KDR P35968 1/20 0.43
KIF11 P52732 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
EPHX2 P34913 7/20 0.40
NR1H4 Q96RI1 5/20 0.40
PPARG P37231 1/20 0.40
CYP17A1 P05093 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL2891862 1.00 GAA (0.46) GAAHPGDMAPK1AURKAAURKB
SCHEMBL5551067 0.83 IKBKB (0.52) GAAHPGDMAPK1KIF11IKBKB
SCHEMBL8277193 0.78 ALDH1A1 (0.53) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL7691873 0.78 GAA (0.50) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL1016072 0.78 ACLY (0.58) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL2893505 0.77 LMNA (0.49) GAAPPARG
SCHEMBL2893503 0.77 LMNA (0.49) GAAPPARG
SCHEMBL1016778 0.76 POLB (0.55) GAAHPGDMAPK1AURKAAURKB
SCHEMBL2891864 0.75 GAA (0.47) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL13719816 0.75 EPHX2 (0.52) GAAHPGDMAPK1EPHX2NR1H4

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-20100286391-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-11-11 US claimed
US-7795426-B2 Processes for the preparation of cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US claimed
EP-1951699-A2 PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP claimed
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US claimed
WO-2007053386-A2 PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-7687492-B2 1,2,4-Oxadiazole derivatives as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-30 US disclosed
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-24 US disclosed
EP-1756074-A1 1,2,4-OXADIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005108382-A1 1,2,4-OXADIAZOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2005-11-17 WO 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-20100286391-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 GAA 1163/4885HPGD 300/4885MAPK1 3408/4885
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 GAA 1163/4885HPGD 300/4885MAPK1 3408/4885
US-20080021009-A1 1,2,4-Oxadiazole Derivatives as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 GAA 223/4885HPGD 765/4885MAPK1 3390/4885

“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.