SCHEMBL16291995

SCHEMBL16291995

C=Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.80
UBE2N P61088 1/20 0.80
L3MBTL1 Q9Y468 2/20 0.61
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HTR6 P50406 7/20 0.57
ALOX5 P09917 3/20 0.51
ALK Q9UM73 1/20 0.51
CYP19A1 P11511 2/20 0.50
KLK7 P49862 1/20 0.50
PTGS2 P35354 1/20 0.49
POLB P06746 1/20 0.48
ALDH3A1 P30838 1/20 0.48
HTT P42858 1/20 0.48
NOD1 Q9Y239 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 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
SCHEMBL31262899 1.00 KDM4E (0.80) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL946372 0.89 KDM4E (1.00) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL29694480 0.89 KDM4E (1.00) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL9667769 0.83 KDM4E (0.74) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL3622901 0.82 KDM4E (0.58) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL3615167 0.81 KDM4E (0.68) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL3615171 0.81 HTR6 (0.78) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL7828911 0.81 CA2 (0.71) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL7828914 0.81 CA2 (0.71) KDM4EUBE2NL3MBTL1CA2CA9
SCHEMBL11909017 0.81 CA2 (0.71) KDM4EUBE2NL3MBTL1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3008078-B1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-12-19 EP disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
EP-3008078-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS Trustees of Boston College (US) 2016-04-20 EP disclosed
WO-2014201300-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2014-12-18 WO disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C KDM4E 2167/4885UBE2N 3072/4885L3MBTL1 1050/4885

“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.