SCHEMBL2891864

SCHEMBL2891864

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP17A1 P05093 1/20 0.43
KIF11 P52732 1/20 0.42
EPHX2 P34913 8/20 0.41
NR1H4 Q96RI1 6/20 0.41
PPARG P37231 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
KCNH2 Q12809 1/20 0.40
ACLY P53396 1/20 0.39
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL1016072 0.80 ACLY (0.58) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL7691873 0.80 GAA (0.50) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL8277193 0.80 ALDH1A1 (0.53) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL5551067 0.78 IKBKB (0.52) GAAHPGDMAPK1KIF11EPHX2
SCHEMBL2893506 0.78 LMNA (0.49) GAAPPARGAVPR2GPR27ALDH1A1
SCHEMBL1016778 0.77 POLB (0.55) GAAHPGDMAPK1EPHX2NR1H4
SCHEMBL13719816 0.76 EPHX2 (0.52) GAAHPGDMAPK1EPHX2NR1H4
SCHEMBL13869047 0.76 HPGD (0.47) GAAHPGDMAPK1EPHX2NR1H4
SCHEMBL2891862 0.75 GAA (0.46) GAAHPGDMAPK1CYP17A1KIF11
SCHEMBL16536096 0.75 GAA (0.46) GAAHPGDMAPK1KIF11EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.