SCHEMBL5718955

SCHEMBL5718955

NC(=O)C(OC(=O)C(F)(F)F)n1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2-c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
ADRB1 P08588 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
HTT P42858 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
ALOX15 P16050 2/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5719546 0.89 DPP4 (0.35) DPP4POLBSIRT5
SCHEMBL5771953 0.86 DPP4 (0.44) DPP4L3MBTL1GAAADRB1ALDH1A1
SCHEMBL5719316 0.85 DPP4 (0.44) DPP4L3MBTL1GAAALDH1A1HTT
Trifluoroacetic Acid SCHEMBL5718976 0.83 DPP4 (0.44) DPP4L3MBTL1GAAPOLBSIRT5
SCHEMBL5718838 0.82 DPP4 (0.45) DPP4L3MBTL1GAAPOLBSIRT5
SCHEMBL5776035 0.82 DPP4 (0.39) DPP4L3MBTL1GAAPOLBMEN1
SCHEMBL5719200 0.82 DPP4 (0.40) DPP4L3MBTL1GAAPOLBSIRT5
SCHEMBL5772574 0.82 DPP4 (0.38) DPP4L3MBTL1GAAPOLBSIRT5
Acetic Acid SCHEMBL5719524 0.80 DPP4 (0.43) DPP4L3MBTL1GAAPOLBSIRT5
SCHEMBL5772367 0.79 DPP4 (0.45) DPP4L3MBTL1GAAPOLBSIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 EP 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 (2 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 DPP4 1/4885L3MBTL1 1200/4885GAA 2197/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885L3MBTL1 4196/4885GAA 183/4885

“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.