SCHEMBL5905907

SCHEMBL5905907

Cc1cc(Cn2nnn(-c3ccc(C(F)(F)F)cc3)c2=O)ccc1/N=C1\OC(=O)c2c(I)cccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.35
PPARA Q07869 8/20 0.35
PPARG P37231 7/20 0.35
ROCK2 O75116 5/20 0.34
CHRM5 P08912 2/20 0.32
ABHD6 Q9BV23 1/20 0.32
CHRM3 P20309 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30
TP53 P04637 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
SCHEMBL5905908 1.00 PPARD (0.35) PPARDPPARAPPARGROCK2CHRM5
SCHEMBL5905974 0.90 ROCK2 (0.34) ROCK2
SCHEMBL5905972 0.90 ROCK2 (0.34) ROCK2
SCHEMBL5905962 0.88 PPARD (0.38) PPARDPPARAPPARGROCK2CHRM5
SCHEMBL5905958 0.88 PPARD (0.38) PPARDPPARAPPARGROCK2CHRM5
SCHEMBL5906315 0.87 PPARG (0.34) PPARG
SCHEMBL5906313 0.87 PPARG (0.34) PPARG
SCHEMBL6270252 0.84 KCNN4 (0.34) ROCK2
SCHEMBL6270248 0.84 KCNN4 (0.34) ROCK2
SCHEMBL2891937 0.79 GRIA2 (0.37) ABHD6

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
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO 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-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 PPARD 3684/4885PPARA 2780/4885PPARG 4018/4885

“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.