SCHEMBL5232834

SCHEMBL5232834

CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)C)c(=O)c2ccc(-c3nc(C)c(C(=O)OCC)s3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.37
DBF4 Q9UBU7 3/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
TARBP2 Q15633 2/20 0.34
PDPK1 O15530 1/20 0.34
DPP4 P27487 1/20 0.33
DYRK1A Q13627 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
SREBF2 Q12772 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL5231027 0.93 TARBP2 (0.42) TARBP2PDPK1DPP4DYRK1AKDM4E
SCHEMBL5236366 0.88 ABCB1 (0.38) PDPK1DPP4ALDH1A1MAPTSREBF2
SCHEMBL5233984 0.87 DPP4 (0.43) DPP4TP53
SCHEMBL5234053 0.86 LMNA (0.34) CDC7DBF4TSHRLMNAKDM4E
Hydrochloric Acid SCHEMBL5232287 0.85 DPP4 (0.43) CDC7DBF4LMNATARBP2DPP4
SCHEMBL5234400 0.83 DPP4 (0.39) TARBP2DPP4PPARAMAPTTP53
SCHEMBL5231544 0.82 SREBF2 (0.39) PDPK1DPP4ALDH1A1SREBF2HDAC6
SCHEMBL5231487 0.79 DPP4 (0.46) DPP4
SCHEMBL5236869 0.79 ALDH1A1 (0.39) TSHRDPP4KDM4EALDH1A1MAPT
SCHEMBL5240636 0.78 XDH (0.37) TARBP2DPP4MAPTTP53ABCC4

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
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

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 CDC7 4413/4885DBF4 4177/4885TSHR 2475/4885

“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.