SCHEMBL13341880

SCHEMBL13341880

CCCCc1nc(CC)n(-c2ccc(OC(C)(C)COC(C)=O)cc2)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.50
KCNH2 Q12809 1/20 0.47
SLC33A1 O00400 3/20 0.47
AGTR1 P30556 1/20 0.46

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
SCHEMBL1892606 0.92 PPARG (0.50) PPARGKCNH2SLC33A1AGTR1
SCHEMBL12348977 0.88 SLC33A1 (0.54) PPARGSLC33A1
SCHEMBL1889160 0.88 SLC33A1 (0.51) PPARGSLC33A1AGTR1
SCHEMBL1891428 0.87 PPARG (0.52) PPARGSLC33A1AGTR1
SCHEMBL1896260 0.87 SLC33A1 (0.49) PPARGSLC33A1AGTR1
SCHEMBL12349046 0.86 SLC33A1 (0.52) PPARGSLC33A1
SCHEMBL1893799 0.86 APLNR (0.38)
SCHEMBL1894374 0.86 PPARG (0.50) PPARGKCNH2SLC33A1AGTR1
SCHEMBL1890468 0.86 SLC33A1 (0.52) PPARGSLC33A1AGTR1
SCHEMBL1885811 0.85 PPARG (0.56) PPARGSLC33A1AGTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 US disclosed
US-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 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-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 PPARG 3043/4885KCNH2 383/4885SLC33A1 817/4885

“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.