SCHEMBL5773382

SCHEMBL5773382

C=Cc1ccccc1-n1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2CC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAP Q12884 4/20 0.35
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL5719346 0.90 LMNA (0.46) DPP4L3MBTL1ALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL5773381 0.89 DPP4 (0.46) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5788736 0.88 LMNA (0.48) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5774800 0.88 DPP4 (0.50) DPP4L3MBTL1ALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL5719367 0.88 DPP4 (0.45) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5789482 0.87 DPP4 (0.50) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL6383694 0.84 DPP4 (0.40) DPP4L3MBTL1ALDH1A1LMNATSHR
Trifluoroacetic Acid SCHEMBL5719238 0.84 DPP4 (0.52) DPP4L3MBTL1ALDH1A1LMNATSHR
Acetic Acid SCHEMBL6383692 0.84 DPP4 (0.42) DPP4L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5770332 0.84 DPP4 (0.39) DPP4L3MBTL1ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US 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 1200/4885ALDH1A1 112/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 DPP4 1/4885L3MBTL1 4196/4885ALDH1A1 3230/4885

“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.