SCHEMBL5231027

SCHEMBL5231027

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.42
XDH P47989 6/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM1 P11229 1/20 0.39
PDE4A P27815 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PPARA Q07869 6/20 0.36
PPARD Q03181 4/20 0.36
PDPK1 O15530 1/20 0.34
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
DYRK1A Q13627 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5232834 0.93 CDC7 (0.37) TARBP2XDHABCC4ABCB11PGR
SCHEMBL5231544 0.86 SREBF2 (0.39) HDAC6PDPK1DPP4ALDH1A1
SCHEMBL5231487 0.86 DPP4 (0.46) DPP4SMN1; SMN2
SCHEMBL5234400 0.86 DPP4 (0.39) TARBP2XDHABCC4ABCB11PGR
Hydrochloric Acid SCHEMBL5239312 0.85 TARBP2 (0.46) TARBP2XDHABCC4ABCB11PGR
SCHEMBL5236366 0.83 ABCB1 (0.38) HDAC6PDPK1DPP4GAARAB9A
SCHEMBL5231264 0.82 DPP4 (0.46) DPP4KDM4EGAAALDH1A1
SCHEMBL5240636 0.81 XDH (0.37) TARBP2XDHABCC4ABCB11PGR
SCHEMBL5233984 0.81 DPP4 (0.43) DPP4
Hydrochloric Acid SCHEMBL5236389 0.79 DPP4 (0.46) TARBP2DPP4

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 TARBP2 4572/4885XDH 267/4885ABCC4 1267/4885

“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.