SCHEMBL5880118

SCHEMBL5880118

O=C(NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
MAPT P10636 6/20 0.58
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 4/20 0.56
ATM Q13315 1/20 0.53
MAPK1 P28482 1/20 0.52
POLB P06746 2/20 0.51
NCOA3 Q9Y6Q9 1/20 0.50
KDM4E B2RXH2 2/20 0.48
PTBP1 P26599 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.47
PTGS2 P35354 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
SCHEMBL5880114 1.00 LMNA (0.58) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5880230 0.86 LMNA (0.48) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5880233 0.86 LMNA (0.48) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5879730 0.85 GAA (0.50) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5879733 0.85 GAA (0.50) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5880150 0.84 GAA (0.49) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5880154 0.84 GAA (0.49) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5879976 0.83 MAPT (0.51) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5879978 0.83 MAPT (0.51) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL5880124 0.83 MAPT (0.58) LMNAMAPTKMT2AMEN1ALDH1A1

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 LMNA 4281/4885MAPT 4629/4885KMT2A 1234/4885

“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.