SCHEMBL4444916

SCHEMBL4444916

CC(=O)Nc1cccc2c(S(=O)(=O)NCc3cccc([N+](=O)[O-])c3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP19A1 P11511 4/20 0.52
CCR8 P51685 1/20 0.47
PKM P14618 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
NSD2 O96028 2/20 0.46
FABP4 P15090 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EDNRA P25101 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4442994 0.89 CCR8 (0.49) CYP19A1CCR8PKMLMNANSD2
SCHEMBL4443216 0.84 CCR8 (0.52) CYP19A1CCR8NSD2FABP4EDNRA
SCHEMBL4453211 0.83 NSD2 (0.52) CYP19A1CCR8NSD2FABP4SMN1; SMN2
SCHEMBL4445014 0.83 NSD2 (0.51) CYP19A1CCR8NSD2FABP4EDNRA
SCHEMBL4448429 0.83 MCL1 (0.57) CCR8LMNANSD2FABP4EDNRA
SCHEMBL4452471 0.83 CCR8 (0.51) CCR8NSD2FABP4EDNRAALDH1A1
SCHEMBL4494199 0.82 CYP19A1 (0.58) CYP1A2CYP3A4CYP2C19CYP19A1MEN1
SCHEMBL4454907 0.81 CCR8 (0.51) CYP19A1CCR8NSD2FABP4EDNRA
SCHEMBL4443345 0.81 CCR8 (0.48) CCR8LMNANSD2FABP4SMN1; SMN2
SCHEMBL4445436 0.80 NSD2 (0.67) CYP1A2CYP3A4CYP2C19CYP19A1NSD2

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 CYP1A2 1951/4885CYP3A4 2664/4885CYP2C19 3235/4885

“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.