SCHEMBL3277166

SCHEMBL3277166

CCOC(=O)N(C)Cc1c(C(=O)O)n(Cc2cccc3ccc(F)cc23)c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
TP53 P04637 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HK1 P19367 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL3276388 0.96 PTGDR2 (0.41) PTGDR2TP53KMT2AMEN1ALDH1A1
SCHEMBL3275720 0.95 MCL1 (0.44) PTGDR2TP53KMT2AMEN1ALDH1A1
SCHEMBL3277262 0.93 KMT2A (0.44) PTGDR2KMT2AMEN1ALDH1A1HK1
SCHEMBL3277176 0.91 PTGDR2 (0.41) PTGDR2TP53KMT2AMEN1PTGIR
SCHEMBL3275173 0.89 KMT2A (0.46) PTGDR2KMT2AMEN1ALDH1A1HK1
SCHEMBL3277567 0.88 KMT2A (0.43) PTGDR2KMT2AMEN1ALDH1A1HK1
SCHEMBL3281152 0.88 KMT2A (0.49) PTGDR2KMT2AMEN1ALDH1A1HK1
SCHEMBL3277431 0.86 POLB (0.43) PTGDR2TP53KMT2AMEN1MCL1
SCHEMBL3282727 0.86 POLB (0.46) TP53KMT2AMEN1MCL1POLB
SCHEMBL3279636 0.84 KMT2A (0.43) PTGDR2TP53KMT2AMEN1ALDH1A1

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 9 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
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
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 PTGDR2 414/4885TP53 1734/4885KMT2A 3786/4885

“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.