SCHEMBL5238978

SCHEMBL5238978

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
MPO P05164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PLK1 P53350 2/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORA P35398 3/20 0.32
RORC P51449 3/20 0.32
RORB Q92753 3/20 0.32
PGR P06401 2/20 0.32
PPM1A P35813 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5236830 0.96 DPP4 (0.35) DPP4MPOPTGDR2PLK1KDM4E
SCHEMBL5236376 0.89 PPM1A (0.36) DPP4MPOPTGDR2PLK1KDM4E
Hydrochloric Acid SCHEMBL5238213 0.88 DPP4 (0.43) DPP4MPOPTGDR2PLK1PARP1
SCHEMBL5232664 0.88 RORA (0.40) DPP4KDM4ELMNAMEN1TSHR
SCHEMBL5235895 0.87 RORA (0.44) DPP4PTGDR2RORARORCRORB
SCHEMBL5233506 0.87 PGR (0.42) DPP4KDM4EMEN1KMT2AHSD17B10
SCHEMBL5233768 0.87 DPP4 (0.37) DPP4KDM4ELMNAMEN1TSHR
SCHEMBL5238898 0.87 LMNA (0.38) DPP4KDM4ELMNASMN1; SMN2RORA
SCHEMBL5239515 0.85 L3MBTL1 (0.43) DPP4KDM4ELMNATSHRSMN1; SMN2
SCHEMBL5238716 0.85 PPM1A (0.36) DPP4MPOPTGDR2PLK1KDM4E

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 DPP4 2/4885MPO 394/4885PTGDR2 2823/4885

“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.