SCHEMBL4513685

SCHEMBL4513685

COC(=O)N(C)CC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4n3S(=O)(=O)c3ccccc3)CC(=O)N1CC1(CCNCC1)N2C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
PPARG P37231 8/20 0.37
PPARA Q07869 6/20 0.37
PPARD Q03181 5/20 0.36
CCR5 P51681 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
SLC2A1 P11166 1/20 0.32
KCNT1 Q5JUK3 1/20 0.31
MMP14 P50281 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
HTR6 P50406 1/20 0.30
ACLY P53396 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
SCHEMBL4528484 0.92 F10 (0.43) F10PPARGPPARAPPARDCCR5
SCHEMBL4523755 0.91 F10 (0.43) F10PPARGPPARAPPARDCCR5
SCHEMBL4537104 0.89 F10 (0.42) F10PPARGPPARAPPARDCCR5
SCHEMBL4518134 0.88 F10 (0.43) F10PPARGPPARAPPARDCCR5
SCHEMBL4527377 0.87 F10 (0.43) F10PPARGPPARAPPARDMAPK8
SCHEMBL4528341 0.82 F10 (0.39) F10PPARGPPARAPPARDMAPK8
SCHEMBL4514634 0.81 F10 (0.44) F10PPARGPPARAPPARDCCR5
SCHEMBL4528692 0.80 F10 (0.46) F10PPARGPPARAPPARDSLC2A1
SCHEMBL4524982 0.80 F10 (0.44) F10PPARGPPARAPPARDHTR6
SCHEMBL4527375 0.80 PPARG (0.38) F10PPARGPPARAPPARDHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A F10 157/4885PPARG 2153/4885PPARA 1675/4885

“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.