SCHEMBL5235706

SCHEMBL5235706

CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)C)c(=O)c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MDM2 Q00987 1/20 0.39
DPP4 P27487 1/20 0.38
ABL1 P00519 1/20 0.36
KIT P10721 1/20 0.36
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
XIAP P98170 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
SCHEMBL5233283 0.92 EPHX2 (0.40) EPHX2TDP1MDM2ABL1KIT
SCHEMBL5235263 0.86 DPP4 (0.40) TDP1DPP4KDM4ENPC1ALDH1A1
SCHEMBL27581829 0.81 TSHR (0.41) TDP1DPP4ALDH1A1SMN1; SMN2
SCHEMBL5231264 0.78 DPP4 (0.46) DPP4KDM4EALDH1A1HPGD
SCHEMBL27599399 0.77 ACHE (0.34) MDM2DPP4
SCHEMBL5237159 0.77 DPP4 (0.47) DPP4NPC1
SCHEMBL5236869 0.77 ALDH1A1 (0.39) DPP4KDM4EALDH1A1HPGD
SCHEMBL5321491 0.76 RAB9A (0.34) MDM2NPC1RAB9ASMN1; SMN2
SCHEMBL5234053 0.76 LMNA (0.34) MDM2KDM4EALDH1A1XIAP
SCHEMBL5238826 0.76 SDCBP (0.35) DPP4

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 EPHX2 1311/4885TDP1 2695/4885MDM2 1066/4885

“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.