SCHEMBL1361030

SCHEMBL1361030

CN(C(=O)c1cccc(N)c1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
GPBAR1 Q8TDU6 14/20 0.38
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL1362476 0.83 ALDH1A1 (0.41) GPBAR1
SCHEMBL1362273 0.78 KMT2A (0.48)
SCHEMBL1844491 0.77 PTGS1 (0.44) PTGS1GPBAR1NR1H3NR1H2
SCHEMBL13508211 0.72 PTGS1 (0.43) PTGS1GPBAR1NR1H3NR1H2
SCHEMBL29183558 0.71 RXFP1 (0.39) NR1H3NR1H2
SCHEMBL1766674 0.70 PTGS1 (0.40) PTGS1GPBAR1NR1H3NR1H2
SCHEMBL2129697 0.67 MAOA (0.51) PTGS1NR1H3NR1H2
SCHEMBL30804865 0.66 ALDH1A1 (0.46)
SCHEMBL5356923 0.65 ALDH1A1 (0.45)
SCHEMBL1172823 0.65 PBRM1 (0.55)

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-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 PTGS1 1450/4885GPBAR1 2683/4885NR1H3 361/4885

“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.