SCHEMBL3277161

SCHEMBL3277161

CCOC(=O)CNCc1c(C(=O)O)n(Cc2cccc3ccc(F)cc23)c2ccc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HK1 P19367 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
YWHAH Q04917 1/20 0.40

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
SCHEMBL3276383 0.96 POLB (0.49) TP53POLBMAPTALDH1A1HK1
SCHEMBL3275723 0.95 POLB (0.53) TP53POLBMAPTYWHAH
SCHEMBL3277265 0.93 MEN1 (0.46) TP53POLBMAPTALDH1A1HK1
SCHEMBL3277171 0.92 TP53 (0.48) TP53POLBMAPTPTGDR2YWHAH
SCHEMBL3275175 0.89 MEN1 (0.47) TP53POLBMAPTALDH1A1HK1
SCHEMBL3277568 0.89 MEN1 (0.45) TP53POLBMAPTALDH1A1HK1
SCHEMBL15513490 0.88 PTGDR2 (0.40) TP53ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL3281145 0.88 MEN1 (0.51) TP53POLBMAPTALDH1A1HK1
SCHEMBL3277435 0.88 POLB (0.52) TP53POLBMAPTYWHAH
SCHEMBL3282726 0.87 POLB (0.55) TP53POLBMAPTYWHAH

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP claimed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 TP53 1734/4885POLB 1631/4885MAPT 4097/4885

“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.