SCHEMBL2896338

SCHEMBL2896338

CS(=O)(=O)c1ccc(C(=N)NO)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
PTGS2 P35354 5/20 0.38
LMNA P02545 1/20 0.38
SLC6A9 P48067 1/20 0.37
ENPP2 Q13822 1/20 0.36
GAA P10253 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MEP1B Q16820 1/20 0.35
NR1I2 O75469 1/20 0.35
CACNA1B Q00975 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35

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
SCHEMBL2893506 0.81 LMNA (0.49) LMNAGAAAVPR2GPR27
SCHEMBL4412567 0.76 LMNA (0.59) PTGS2LMNASLC6A9ENPP2
SCHEMBL20600120 0.75 LOXL2 (0.40) LMNA
SCHEMBL21709859 0.75 HSD17B10 (0.45) PTGS2LMNASLC6A9CA1CA2
SCHEMBL8114283 0.75 LMNA (0.49) PTGS2LMNASLC6A9ENPP2NR1I2
SCHEMBL1061020 0.75 PTGS2 (0.41) KIF11PTGS2LMNASLC6A9ENPP2
SCHEMBL4369013 0.75 DGAT1 (0.53) PTGS2LMNASLC6A9CA1CA2
SCHEMBL194112 0.73 CES2 (0.52) GAACA9
SCHEMBL4095461 0.72 ENPP2 (0.48) PTGS2ENPP2
SCHEMBL3455630 0.72 ESR1 (0.37) CA1CA2CA9

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 KIF11 4392/4885PTGS2 759/4885LMNA 4064/4885

“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.