SCHEMBL5236922

SCHEMBL5236922

CCCCOc1c(CN2C(=O)c3ccccc3C2=O)n(CC(C)(C)C)c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
RORA P35398 5/20 0.38
RORC P51449 5/20 0.38
RORB Q92753 5/20 0.38
TSHR P16473 1/20 0.37
PTK2B Q14289 1/20 0.37
DDR1 Q08345 4/20 0.35
PGR P06401 6/20 0.35
METAP2 P50579 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
DPP4 P27487 1/20 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
SCHEMBL5230945 0.96 RORA (0.39) PTGDR2RORARORCRORBTSHR
SCHEMBL5237497 0.89 TSHR (0.38) PTGDR2TSHRPTK2BMETAP2DPP4
SCHEMBL5233781 0.88 HPGD (0.39) RORARORCRORBTSHRPTK2B
SCHEMBL5232925 0.88 TSHR (0.45) RORARORCRORBTSHRPTK2B
SCHEMBL5237827 0.86 TSHR (0.42) TSHRPTK2BMETAP2
SCHEMBL5238249 0.85 TSHR (0.38) PTGDR2RORARORCRORBTSHR
SCHEMBL5239302 0.85 TSHR (0.39) TSHRPTK2BDPP4
SCHEMBL5236732 0.84 KDM4E (0.42) TSHRPTK2B
SCHEMBL5238745 0.84 RORA (0.40) RORARORCRORBTSHRPTK2B
SCHEMBL5239124 0.84 TSHR (0.40) TSHRPTK2B

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 PTGDR2 2823/4885RORA 2682/4885RORC 2671/4885

“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.