SCHEMBL5236376

SCHEMBL5236376

CCCCOc1c(CO)n(CC(C)(C)C)c(=O)c2ccc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1A P35813 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
DPP4 P27487 1/20 0.35
PGR P06401 3/20 0.34
RORA P35398 2/20 0.34
RORC P51449 2/20 0.34
RORB Q92753 2/20 0.34
MPO P05164 1/20 0.33
PTGER4 P35408 1/20 0.33
PLK1 P53350 3/20 0.33
PER2 O15055 5/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL5238716 0.96 PPM1A (0.36) PPM1APTGDR2DPP4PGRRORA
SCHEMBL5238978 0.89 DPP4 (0.37) PPM1APTGDR2DPP4PGRRORA
Hydrochloric Acid SCHEMBL5238213 0.88 DPP4 (0.43) PTGDR2DPP4MPOPLK1
SCHEMBL5237836 0.88 RORA (0.40) DPP4PGRRORARORCRORB
SCHEMBL5233756 0.87 RORA (0.46) PTGDR2DPP4PGRRORARORC
SCHEMBL5238550 0.87 LMNA (0.40) DPP4PGRRORARORCRORB
SCHEMBL5236177 0.87 PGR (0.36) DPP4PGRRORARORCRORB
SCHEMBL5241283 0.87 PGR (0.44) DPP4PGRRORARORCRORB
SCHEMBL5232805 0.86 PTGDR2 (0.38) PTGDR2DPP4PTGER4KDM4EPOLB
SCHEMBL5238438 0.85 L3MBTL1 (0.43) DPP4PGRRORARORCRORB

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 6 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
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO 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 PPM1A 3521/4885PTGDR2 2823/4885DPP4 2/4885

“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.