SCHEMBL3277586

SCHEMBL3277586

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.40
PTGDR Q13258 3/20 0.39
PTGIR P43119 1/20 0.39
CYP2C9 P11712 1/20 0.38
FOLH1 Q04609 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.37
PER2 O15055 1/20 0.37
CRY1 Q16526 1/20 0.37
CRY2 Q49AN0 1/20 0.37

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
SCHEMBL3276461 0.95 PTGDR2 (0.45) PTGDR2KMT2AMEN1POLBPTGDR
SCHEMBL3280944 0.94 KMT2A (0.47) PTGDR2KMT2AMEN1POLBFOLH1
SCHEMBL3275267 0.89 PTGDR2 (0.54) PTGDR2KMT2AMEN1POLBPTGDR
SCHEMBL3276262 0.87 KMT2A (0.44) PTGDR2KMT2AMEN1POLBPTGDR
SCHEMBL3283156 0.86 PTGDR2 (0.42) PTGDR2KMT2AMEN1POLBPTGDR
SCHEMBL15513015 0.85 PTGDR2 (0.43) PTGDR2PTGDRPTGIRCYP2C9
SCHEMBL3276121 0.85 KMT2A (0.44) PTGDR2KMT2AMEN1POLBCYP2C9
SCHEMBL3277102 0.85 KMT2A (0.44) PTGDR2KMT2AMEN1POLBCYP2C9
SCHEMBL3280205 0.84 CRY1 (0.47) PTGDR2KMT2AMEN1POLBPTGDR
SCHEMBL4791919 0.84 KMT2A (0.41) PTGDR2KMT2AMEN1POLBCYP2C9

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
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US 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
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
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 PTGDR2 414/4885KMT2A 3786/4885MEN1 2461/4885

“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.