SCHEMBL4453211

SCHEMBL4453211

COc1cccc(CNS(=O)(=O)c2cccc3c(NC(C)=O)cccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.52
FABP4 P15090 1/20 0.52
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.49
NAMPT P43490 2/20 0.49
CCR8 P51685 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
CYP19A1 P11511 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4453000 0.92 NSD2 (0.53) NSD2FABP4ALDH1A1CCR8SMN1; SMN2
SCHEMBL4443167 0.92 NSD2 (0.55) NSD2FABP4ALDH1A1CCR8MAPT
SCHEMBL4444987 0.89 NSD2 (0.66) NSD2FABP4ALDH1A1CCR8MAPT
SCHEMBL4449177 0.88 CCR8 (0.51) NSD2FABP4CCR8
SCHEMBL4444970 0.86 FABP4 (0.56) NSD2FABP4ALDH1A1CCR8MAPT
SCHEMBL4443216 0.85 CCR8 (0.52) NSD2FABP4ALDH1A1NAMPTCCR8
SCHEMBL4452471 0.84 CCR8 (0.51) NSD2FABP4ALDH1A1NAMPTCCR8
SCHEMBL4448429 0.84 MCL1 (0.57) NSD2FABP4ALDH1A1NAMPTCCR8
SCHEMBL4445014 0.84 NSD2 (0.51) NSD2FABP4ALDH1A1CCR8CYP19A1
SCHEMBL4454907 0.84 CCR8 (0.51) NSD2FABP4POLBCCR8CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547716-B2 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-06-16 US disclosed
EP-1402890-B1 SULFONAMIDE DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2008-01-09 EP disclosed
US-20040234622-A1 Sulfonamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-11-25 US disclosed
EP-1402890-A1 SULFONAMIDE DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2004-03-31 EP 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-20040234622-A1 Sulfonamide derivatives PCNA, TOP2A, DDB1 NSD2 122/4885FABP4 1925/4885ALDH1A1 980/4885

“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.