SCHEMBL5879609

SCHEMBL5879609

O=S(=O)(N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 10/20 0.51
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
ALDH1A1 P00352 8/20 0.51
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 7/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL5879610 1.00 GAA (0.53) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5879987 0.92 MAPT (0.58) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5879992 0.92 MAPT (0.58) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5879968 0.90 MAPT (0.50) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5879965 0.90 MAPT (0.50) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5880034 0.85 MAPT (0.44) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5880039 0.85 MAPT (0.44) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5880011 0.84 MAPT (0.42) GAAPOLBMAPTKMT2AMEN1
SCHEMBL6375082 0.84 MAPT (0.42) GAAPOLBMAPTKMT2AMEN1
SCHEMBL5880124 0.84 MAPT (0.58) GAAPOLBMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 GAA 1027/4885POLB 887/4885MAPT 4629/4885

“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.