SCHEMBL5235307

SCHEMBL5235307

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2ccc(OCc3ccccc3)cc2c(=O)n1CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.42
PPARG P37231 1/20 0.42
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
DPP4 P27487 3/20 0.41
MAOB P27338 1/20 0.40
NMT2 O60551 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5234705 0.88 MAPK8 (0.44) DPP4
SCHEMBL5237348 0.87 DPP4 (0.40) DPP4
SCHEMBL5235815 0.84 NMT1 (0.49) NMT1PPARGGABRA1GABRG2GABRB3
SCHEMBL5238283 0.83 NMT1 (0.42) NMT1PPARGGABRA1GABRG2GABRB3
SCHEMBL5237289 0.83 DPP4 (0.54) NMT1PPARGGABRA1GABRG2GABRB3
SCHEMBL5238135 0.82 NMT1 (0.47) NMT1PPARGGABRA1GABRG2GABRB3
SCHEMBL27581821 0.78 DPP4 (0.47) NMT1PPARGDPP4KMT2A
SCHEMBL5235680 0.76 GABRA1 (0.43) NMT1PPARGGABRA1GABRG2GABRB3
SCHEMBL5576568 0.75 DPP4 (0.48) DPP4MAOBALDH1A1
SCHEMBL5233228 0.75 PDE5A (0.52) DPP4MAOBLMNAALDH1A1

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 NMT1 737/4885PPARG 2348/4885GABRA1 3124/4885

“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.