SCHEMBL8298569

SCHEMBL8298569

CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.73
ADORA2A P29274 8/20 0.68
RAB9A P51151 7/20 0.66
NPC1 O15118 7/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP2C19 P33261 2/20 0.65
CYP2C9 P11712 1/20 0.62
CYP3A4 P08684 1/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HSD17B10 Q99714 2/20 0.59
MAPT P10636 2/20 0.59
SCD O00767 1/20 0.59
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL16603980 0.85 AGER (1.00) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL4296490 0.84 AGER (0.70) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL3194666 0.83 ADORA2A (0.75) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL4286543 0.83 AGER (0.68) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL4287847 0.83 AGER (0.76) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL16378731 0.83 RAB9A (0.73) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL5502572 0.83 AGER (0.76) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL5493836 0.83 AGER (0.64) AGERADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL592704 0.82 MEN1 (0.65) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4285954 0.82 NPC1 (0.85) AGERADORA2ARAB9ANPC1SMN1; SMN2

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 AGER 1456/4885ADORA2A 4028/4885RAB9A 2391/4885

“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.