SCHEMBL3280205

SCHEMBL3280205

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 11/20 0.47
CRY2 Q49AN0 11/20 0.47
PER2 O15055 9/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.42
POLB P06746 1/20 0.39
PTGIR P43119 1/20 0.38
PTGDR Q13258 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
SCHEMBL3276434 0.96 KMT2A (0.46) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3276302 0.94 KMT2A (0.48) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3277704 0.88 KMT2A (0.46) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3276275 0.87 KMT2A (0.45) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3277176 0.85 PTGDR2 (0.41) KMT2AMEN1PTGDR2POLBPTGIR
SCHEMBL3277079 0.85 KMT2A (0.49) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3277586 0.84 PTGDR2 (0.46) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3276977 0.84 KMT2A (0.42) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3283150 0.83 PER2 (0.46) CRY1CRY2PER2KMT2AMEN1
SCHEMBL3279636 0.83 KMT2A (0.43) KMT2AMEN1PTGDR2POLBPTGIR

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 11 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

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 CRY1 4002/4885CRY2 4592/4885PER2 4150/4885

“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.