SCHEMBL3279979

SCHEMBL3279979

CCOCc1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
MCL1 Q07820 1/20 0.43
TP53 P04637 2/20 0.42
CYP2C9 P11712 1/20 0.41
PTGER2 P43116 1/20 0.40
FOLH1 Q04609 3/20 0.40
MAPT P10636 2/20 0.40
CMA1 P23946 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL15513534 0.87 PTGDR2 (0.41) PTGDR2CYP2C9PTGER2MAPTCMA1
SCHEMBL3276244 0.86 KMT2A (0.47) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL3280953 0.85 KMT2A (0.47) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL3275766 0.85 PTGDR2 (0.53) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL3276121 0.85 KMT2A (0.44) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL3276461 0.84 PTGDR2 (0.45) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL15512653 0.84 POLB (0.55) KMT2AMEN1POLBPTGDR2TP53
SCHEMBL3275970 0.84 POLB (0.46) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL3274967 0.84 POLB (0.52) KMT2AMEN1POLBPTGDR2MCL1
SCHEMBL3276275 0.84 KMT2A (0.45) KMT2AMEN1POLBPTGDR2MCL1

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 12 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
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP claimed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO 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
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
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
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 KMT2A 3786/4885MEN1 2461/4885POLB 1631/4885

“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.