SCHEMBL5238550

SCHEMBL5238550

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK8 P45983 6/20 0.37
DPP4 P27487 2/20 0.35
ATM Q13315 1/20 0.34
PGR P06401 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
RORA P35398 2/20 0.32
RORC P51449 2/20 0.32
RORB Q92753 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 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
SCHEMBL5240617 0.89 DPP4 (0.43) LMNAMAPK8DPP4ATMPGR
SCHEMBL5238898 0.89 LMNA (0.38) LMNAMAPK8DPP4ATMPGR
Hydrochloric Acid SCHEMBL5235639 0.88 DPP4 (0.43) LMNAMAPK8DPP4ATMPGR
SCHEMBL5237836 0.88 RORA (0.40) LMNAMAPK8DPP4PGRMAPT
SCHEMBL5241283 0.87 PGR (0.44) LMNAMAPK8DPP4PGRMAPT
SCHEMBL5236376 0.87 PPM1A (0.36) LMNADPP4PGRSMN1; SMN2RORA
SCHEMBL5236177 0.87 PGR (0.36) LMNADPP4PGRMAPTALDH1A1
SCHEMBL5238703 0.86 LMNA (0.39) LMNAMAPK8DPP4ATMALDH1A1
SCHEMBL5232654 0.86 DPP4 (0.49) LMNAMAPK8DPP4PGRSMN1; SMN2
SCHEMBL5238438 0.85 L3MBTL1 (0.43) LMNADPP4PGRALDH1A1SMN1; SMN2

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 4 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
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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 LMNA 1764/4885MAPK8 2612/4885DPP4 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.