SCHEMBL5234400

SCHEMBL5234400

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.39
TARBP2 Q15633 2/20 0.39
XDH P47989 2/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
PGR P06401 1/20 0.36
CHRM1 P11229 1/20 0.36
PDE4A P27815 1/20 0.36
BLVRB P30043 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.36
PPARA Q07869 1/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL5236389 0.90 DPP4 (0.46) DPP4TARBP2
SCHEMBL5240636 0.87 XDH (0.37) DPP4TARBP2XDHABCC4ABCB11
SCHEMBL5234421 0.86 DPP4 (0.39) DPP4
SCHEMBL6107138 0.86 DPP4 (0.37) DPP4TARBP2XDHABCC4ABCB11
SCHEMBL5231027 0.86 TARBP2 (0.42) DPP4TARBP2XDHABCC4ABCB11
Hydrochloric Acid SCHEMBL5239312 0.85 TARBP2 (0.46) DPP4TARBP2XDHABCC4ABCB11
SCHEMBL5234405 0.85 TARBP2 (0.39) DPP4TARBP2XDHABCC4ABCB11
SCHEMBL5236356 0.84 TGFBR1 (0.41) DPP4PPARAMEN1KMT2A
SCHEMBL5233041 0.84 DPP4 (0.53) DPP4
SCHEMBL6107136 0.84 TARBP2 (0.37) DPP4TARBP2XDHABCC4ABCB11

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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 DPP4 2/4885TARBP2 4572/4885XDH 267/4885

“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.