SCHEMBL5237350

SCHEMBL5237350

CCCCOc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2ccc(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
CNR2 P34972 3/20 0.35
DPP4 P27487 3/20 0.34
MAPT P10636 5/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL5238755 0.96 CNR2 (0.35) RORARORCRORBCNR2DPP4
SCHEMBL5231048 0.91 TSHR (0.36) DPP4GAAALDH1A1L3MBTL1RAB9A
SCHEMBL5275959 0.91 RORA (0.37) RORARORCRORBDPP4GAA
SCHEMBL5230679 0.90 DPP4 (0.36) CNR2DPP4MAPTGAAALDH1A1
SCHEMBL5238703 0.89 LMNA (0.39) DPP4ALDH1A1POLBLMNA
SCHEMBL5232805 0.89 PTGDR2 (0.38) CNR2DPP4MAPTTSHRHSD17B10
SCHEMBL5231638 0.89 TSHR (0.37) DPP4ALDH1A1RAB9ATSHRHSD17B10
SCHEMBL5236402 0.89 PGR (0.40) RORARORCRORBDPP4MAPT
SCHEMBL5231951 0.89 POLB (0.34) CNR2DPP4MAPTALDH1A1MEN1
SCHEMBL6701413 0.89 PGR (0.40) CNR2DPP4MAPTGAAALDH1A1

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 2 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

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 RORA 2682/4885RORC 2671/4885RORB 2617/4885

“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.