SCHEMBL6696053

SCHEMBL6696053

CCCCCCc1onc(-c2cccc(F)c2Cl)c1C(=O)N(c1cccc(NC(C)=O)c1)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
GHSR Q92847 6/20 0.35
BRAF P15056 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FYN P06241 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5776661 0.90 PTGS2 (0.45) PTGS2GHSRMAPTHTTSMN1; SMN2
SCHEMBL5776886 0.77 PTGS2 (0.49) PTGS2GPBAR1GHSRBRAFHTT
SCHEMBL6692596 0.77 BRAF (0.40) BRAFMAPTHTTSMN1; SMN2POLB
SCHEMBL5778310 0.75 POLB (0.51) PTGS2GPBAR1GHSRBRAFMAPT
SCHEMBL6692603 0.75 BRAF (0.38) BRAFMAPTGAAPOLBMEN1
SCHEMBL5774936 0.74 PTGS2 (0.42) PTGS2GPBAR1GHSRBRAFMAPT
SCHEMBL5777332 0.74 PTGS2 (0.42) PTGS2GPBAR1GHSRBRAFMAPT
SCHEMBL5774719 0.74 PTGS2 (0.48) PTGS2GHSRMAPTHTTSMN1; SMN2
SCHEMBL7226348 0.74 PTGS2 (0.45) PTGS2GPBAR1GHSRBRAFHTT
SCHEMBL6691783 0.71 PTGS2 (0.39) PTGS2GPBAR1BRAFMAPTHTT

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-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 PTGS2 1354/4885GPBAR1 176/4885GHSR 4725/4885

“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.