SCHEMBL3277244

SCHEMBL3277244

CS(=O)(=O)NCc1c(C(=O)O)n(Cc2csc3ccc(F)cc23)c2ccc(F)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
PER2 O15055 4/20 0.44
CRY1 Q16526 4/20 0.44
CRY2 Q49AN0 4/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
POLB P06746 2/20 0.40
TP53 P04637 5/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL3276339 0.94 POLB (0.48) CA2PER2CRY1CRY2MTNR1A
SCHEMBL3275788 0.88 CA2 (0.45) CA2PER2CRY1CRY2MTNR1A
SCHEMBL15512951 0.88 MTNR1A (0.46) CA2MTNR1AMTNR1BPOLBTP53
SCHEMBL3283116 0.85 MTNR1A (0.45) CA2MTNR1AMTNR1BPOLBTP53
SCHEMBL3275442 0.83 POLB (0.46) MTNR1AMTNR1BPOLBTP53MAPT
SCHEMBL3275397 0.83 PTGDR2 (0.45) CA2MTNR1AMTNR1BMEN1KMT2A
SCHEMBL3283150 0.83 PER2 (0.46) PER2CRY1CRY2POLBTP53
SCHEMBL3283733 0.83 MEN1 (0.45) CA2PER2CRY1CRY2MTNR1A
SCHEMBL27749629 0.82 POLB (0.52) CA2MTNR1AMTNR1BPOLBTP53
SCHEMBL3277241 0.81 CA2 (0.44) CA2PER2CRY1CRY2MTNR1A

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 CA2 121/4885PER2 4150/4885CRY1 4002/4885

“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.