SCHEMBL3276334

SCHEMBL3276334

CS(=O)(=O)C(N)c1c(C(=O)O)n(Cc2csc3ccc(F)cc23)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CA2 P00918 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CMA1 P23946 1/20 0.39
PER2 O15055 5/20 0.38
CRY1 Q16526 4/20 0.38
CRY2 Q49AN0 4/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
KIF11 P52732 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL3277241 0.94 CA2 (0.44) KMT2AMEN1CA2MTNR1AMTNR1B
SCHEMBL3276066 0.85 KMT2A (0.42) KMT2AMEN1CA2MTNR1AMTNR1B
SCHEMBL3275935 0.84 KMT2A (0.46) KMT2AMEN1CMA1PER2CRY1
SCHEMBL3276339 0.82 POLB (0.48) KMT2AMEN1CA2MTNR1AMTNR1B
SCHEMBL15512655 0.80 KMT2A (0.68) KMT2AMEN1CA2MTNR1AMTNR1B
SCHEMBL3283147 0.79 CRY1 (0.41) KMT2AMEN1PER2CRY1CRY2
SCHEMBL3275484 0.78 FOLH1 (0.53) KMT2AMEN1MTNR1AMTNR1BCMA1
SCHEMBL3283112 0.78 MTNR1A (0.42) KMT2AMEN1CA2MTNR1AMTNR1B
SCHEMBL27749629 0.78 POLB (0.52) KMT2AMEN1CA2MTNR1AMTNR1B
SCHEMBL3277244 0.77 CA2 (0.47) KMT2AMEN1CA2MTNR1AMTNR1B

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 8 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
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 KMT2A 3786/4885MEN1 2461/4885CA2 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.