SCHEMBL5239288

SCHEMBL5239288

CCOC(=O)c1c(OCC(C)C)c2cc(Cl)c(Cl)cc2c(=O)n1CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
ALDH1A1 P00352 3/20 0.34
GPR35 Q9HC97 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
NOTUM Q6P988 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FGFR1 P11362 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL5235402 0.87 PTGS1 (0.36) TSHRTDP1L3MBTL1AAK1POLB
SCHEMBL5239284 0.86 ESR1 (0.38) L3MBTL1ALDH1A1BAZ2BBAZ2APOLB
SCHEMBL5237473 0.81 ALDH1A1 (0.41) ALDH1A1BAZ2BBAZ2APOLBGAA
SCHEMBL5239768 0.79 DPP4 (0.34) TSHRTDP1L3MBTL1AAK1POLB
SCHEMBL5234123 0.79 ESR1 (0.38) L3MBTL1ALDH1A1BAZ2BBAZ2APOLB
SCHEMBL5232702 0.78 DPP4 (0.33) TSHRTDP1L3MBTL1AAK1
SCHEMBL5235534 0.78 DPP4 (0.35) AAK1
SCHEMBL5235591 0.78 L3MBTL1 (0.39) L3MBTL1ALDH1A1BAZ2BBAZ2AMEN1
SCHEMBL5576501 0.78 GAA (0.36) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL6108503 0.78 DPP4 (0.33) TSHRTDP1L3MBTL1AAK1

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 2475/4885TDP1 2695/4885L3MBTL1 1135/4885

“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.