SCHEMBL5879893

SCHEMBL5879893

COC(=O)CCc1ccc(S(=O)(=O)Oc2ccccc2C=NNC(=O)Cc2cccc(OC)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
ALDH1A1 P00352 6/20 0.50
SGK1 O00141 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.44
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL5879889 1.00 MEN1 (0.51) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879972 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879975 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879604 0.90 SGK1 (0.52) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879600 0.90 SGK1 (0.52) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879829 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879824 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1SGK1KDM4E
SCHEMBL5879754 0.89 MAPT (0.58) MEN1KMT2AALDH1A1SGK1MAPT
SCHEMBL5879750 0.89 MAPT (0.58) MEN1KMT2AALDH1A1SGK1MAPT
SCHEMBL5879663 0.88 SGK1 (0.50) MEN1KMT2AALDH1A1SGK1KDM4E

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 MEN1 4884/4885KMT2A 1234/4885ALDH1A1 1095/4885

“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.