SCHEMBL5232702

SCHEMBL5232702

CC(C)COc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
PTGS1 P23219 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL5236977 0.86 SMN1; SMN2 (0.34) DPP4L3MBTL1
SCHEMBL5239768 0.85 DPP4 (0.34) DPP4AAK1PTGS1TSHRTDP1
SCHEMBL5235534 0.84 DPP4 (0.35) DPP4AAK1
SCHEMBL6108503 0.83 DPP4 (0.33) DPP4AAK1TSHRTDP1L3MBTL1
SCHEMBL6109406 0.82 DPP4 (0.32) DPP4PTGS1
SCHEMBL5235402 0.82 PTGS1 (0.36) DPP4AAK1PTGS1MAPTTSHR
Hydrochloric Acid SCHEMBL5239499 0.82 DPP4 (0.43) DPP4AAK1
SCHEMBL5233036 0.80 RORC (0.37) DPP4AAK1MAPTL3MBTL1
SCHEMBL6109405 0.80 GRN (0.32) AAK1PTGS1
SCHEMBL5239288 0.78 TSHR (0.36) AAK1TSHRTDP1L3MBTL1

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 DPP4 2/4885AAK1 2000/4885PTGS1 586/4885

“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.