SCHEMBL3276302

SCHEMBL3276302

CN(Cc1c(C(=O)O)n(Cc2cccc3ccc(F)cc23)c2ccccc12)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.46
CRY1 Q16526 6/20 0.44
CRY2 Q49AN0 6/20 0.44
PER2 O15055 5/20 0.43
MCL1 Q07820 1/20 0.43
FOLH1 Q04609 3/20 0.42
ALDH1A1 P00352 3/20 0.41
USP2 O75604 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3276434 0.94 KMT2A (0.46) KMT2AMEN1POLBCRY1CRY2
SCHEMBL3280205 0.94 CRY1 (0.47) KMT2AMEN1POLBCRY1CRY2
SCHEMBL3276217 0.89 MEN1 (0.51) KMT2AMEN1CRY1CRY2PER2
SCHEMBL3276275 0.85 KMT2A (0.45) KMT2AMEN1POLBCRY1CRY2
SCHEMBL3282727 0.85 POLB (0.46) KMT2AMEN1POLBMCL1FOLH1
SCHEMBL3280944 0.85 KMT2A (0.47) KMT2AMEN1POLBMCL1FOLH1
SCHEMBL3275938 0.84 POLB (0.53) KMT2AMEN1POLBCRY1CRY2
SCHEMBL3275720 0.84 MCL1 (0.44) KMT2AMEN1POLBMCL1FOLH1
SCHEMBL3281216 0.83 FOLH1 (0.57) KMT2AMEN1POLBMCL1FOLH1
SCHEMBL3277079 0.83 KMT2A (0.49) KMT2AMEN1CRY1CRY2PER2

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 13 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
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
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.