SCHEMBL964976

SCHEMBL964976

CCC(=Cc1c(C)nn(C)c1-n1ccc2cc(F)cnc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.34
SPR P35270 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 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
SCHEMBL964974 1.00 IRAK4 (0.34) IRAK4SPRLMNAPOLBPKM
SCHEMBL966304 0.90 SPR (0.30) SPR
SCHEMBL966305 0.90 SPR (0.30) SPR
SCHEMBL967739 0.89 IRAK4 (0.35) IRAK4LMNA
SCHEMBL963449 0.89 ENPP3 (0.37)
SCHEMBL963447 0.89 ENPP3 (0.37)
SCHEMBL967741 0.89 IRAK4 (0.35) IRAK4LMNA
SCHEMBL962984 0.88 POLB (0.36) POLB
SCHEMBL962985 0.88 POLB (0.36) POLB
SCHEMBL962301 0.83 PARP1 (0.38) LMNAPOLB

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG IRAK4 873/4885SPR 976/4885LMNA 3461/4885

“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.