SCHEMBL5239404

SCHEMBL5239404

CCCCOc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2ccc(C=O)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP4 P27487 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PTGER4 P35408 1/20 0.31
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL5231048 0.89 TSHR (0.36) TSHRHSD17B10DPP4ALDH1A1KDM4E
SCHEMBL5275959 0.89 RORA (0.37) TSHRHSD17B10DPP4ALDH1A1KDM4E
SCHEMBL5234732 0.88 DPP4 (0.41) DPP4
SCHEMBL5230679 0.88 DPP4 (0.36) TSHRHSD17B10DPP4CNR1CNR2
SCHEMBL5237350 0.88 RORA (0.37) TSHRHSD17B10DPP4CNR1CNR2
SCHEMBL5231638 0.87 TSHR (0.37) TSHRHSD17B10DPP4ALDH1A1KDM4E
SCHEMBL5236402 0.87 PGR (0.40) HSD17B10DPP4MAPTKDM4ETP53
SCHEMBL5232805 0.87 PTGDR2 (0.38) TSHRHSD17B10DPP4CNR2MAPT
SCHEMBL5238703 0.87 LMNA (0.39) DPP4ALDH1A1LMNAPOLBMAPK8
SCHEMBL5231951 0.87 POLB (0.34) TSHRHSD17B10DPP4CNR1CNR2

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 TSHR 2475/4885HSD17B10 640/4885DPP4 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.