SCHEMBL8299104

SCHEMBL8299104

NS(=O)(=O)c1ccc(N2C(=O)CCCC2=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.86
CA2 P00918 13/20 0.86
CA9 Q16790 13/20 0.86
CA12 O43570 12/20 0.86
KMT2A Q03164 1/20 0.56
LMNA P02545 2/20 0.56
SCN2A Q99250 1/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA7 P43166 2/20 0.53
MT-CO2 P00403 2/20 0.52
ALOX5 P09917 2/20 0.52
CA4 P22748 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL20118964 0.92 CA1 (1.00) CA1CA2CA9CA12LMNA
SCHEMBL18118186 0.79 AKR1C3 (0.65) CA1CA2CA9CA12KMT2A
SCHEMBL18118185 0.77 AKR1C3 (0.63) CA1CA2CA9CA12LMNA
SCHEMBL12793541 0.76 CA12 (0.71) CA1CA2CA9CA12KMT2A
SCHEMBL721079 0.76 KMT2A (0.64) CA1CA2CA9CA12KMT2A
SCHEMBL1632277 0.75 CA1 (0.63) CA1CA2CA9CA12SCN2A
SCHEMBL20118874 0.74 CA2 (0.71) CA1CA2CA9CA12SCN2A
SCHEMBL481254 0.73 CA12 (0.67) CA1CA2CA9CA12KMT2A
SCHEMBL1957622 0.73 CA2 (0.76) CA1CA2CA9CA12SCN2A
SCHEMBL31637511 0.72 KMT2A (0.64) CA1CA2CA9CA12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 CA1 905/4885CA2 2113/4885CA9 1468/4885

“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.