SCHEMBL3978741

SCHEMBL3978741

Cc1ccc(-c2nc3cc(Oc4c(Br)cc(CC(F)C(=O)O)cc4Br)ccc3[nH]2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.37
MAPT P10636 1/20 0.36
HPSE Q9Y251 5/20 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
SCHEMBL4295298 0.93 CHEK2 (0.45) CHEK2PTGDR2HPSE
SCHEMBL4299991 0.90 CHEK2 (0.43) CHEK2HPSESIRT2
SCHEMBL4528770 0.86 THRA (0.46) CHEK2PTGDR2MAPTHPSE
SCHEMBL4295203 0.81 THRB (0.34)
SCHEMBL3981706 0.79 THRA (0.39) MAPT
SCHEMBL3981701 0.79 THRA (0.39) MAPT
SCHEMBL4297760 0.79 THRB (0.37)
SCHEMBL3985944 0.79 THRA (0.39) MAPT
SCHEMBL4304109 0.79 THRB (0.34)
SCHEMBL4304033 0.79 THRB (0.34) CHEK2

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-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA CHEK2 3149/4885PTGDR2 106/4885MAPT 3554/4885

“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.