SCHEMBL3276339

SCHEMBL3276339

CS(=O)(=O)NCc1c(C(=O)O)n(Cc2csc3ccc(F)cc23)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MAPT P10636 3/20 0.45
CA2 P00918 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 5/20 0.41
FOLH1 Q04609 4/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PER2 O15055 1/20 0.40
CRY1 Q16526 1/20 0.40
CRY2 Q49AN0 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
SCHEMBL3277244 0.94 CA2 (0.47) POLBMAPTCA2KMT2AMEN1
SCHEMBL3283733 0.89 MEN1 (0.45) POLBMAPTCA2KMT2AMEN1
SCHEMBL27749629 0.89 POLB (0.52) POLBMAPTCA2KMT2AMEN1
SCHEMBL3276068 0.86 POLB (0.48) POLBMAPTKMT2AMEN1TP53
SCHEMBL3275938 0.84 POLB (0.53) POLBMAPTKMT2AMEN1TP53
SCHEMBL3275754 0.84 POLB (0.52) POLBMAPTKMT2AMEN1TP53
SCHEMBL3275484 0.84 FOLH1 (0.53) POLBMAPTKMT2AMEN1FOLH1
SCHEMBL3275788 0.82 CA2 (0.45) MAPTCA2KMT2AMEN1MTNR1A
SCHEMBL3276334 0.82 KMT2A (0.44) POLBMAPTCA2KMT2AMEN1
SCHEMBL15512951 0.82 MTNR1A (0.46) POLBMAPTCA2KMT2AMEN1

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-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
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 POLB 1631/4885MAPT 4097/4885CA2 121/4885

“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.