SCHEMBL3109577

SCHEMBL3109577

O=S(=O)(Nc1cccnc1Br)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.66
MMP2 P08253 2/20 0.56
MMP9 P14780 1/20 0.56
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SLC40A1 Q9NP59 1/20 0.50
PIK3CA P42336 1/20 0.49

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
SCHEMBL20571831 0.85 KMT2A (0.66) HSP90AA1MEN1KMT2ATSHRTDP1
SCHEMBL2704942 0.85 SLC40A1 (0.66) MEN1KMT2ATSHRTDP1KDM4E
SCHEMBL28418785 0.81 SLC40A1 (0.68) GLO1MEN1KMT2ATSHRTDP1
SCHEMBL3102839 0.80 KDM4E (0.63) GLO1MEN1KMT2ATDP1KDM4E
SCHEMBL6978005 0.79 GLO1 (1.00) GLO1MMP2HSP90AA1HSP90AB1MEN1
SCHEMBL7589375 0.78 MEN1 (0.77) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL1854459 0.74 KMT2A (0.68) GLO1MEN1KMT2ATDP1KDM4E
SCHEMBL7595505 0.74 KEAP1 (0.59) MEN1KMT2ATSHRKEAP1NFE2L2
SCHEMBL7854392 0.74 TSHR (0.70) GLO1MEN1KMT2ATSHRKEAP1
SCHEMBL18560174 0.73 KDM4E (0.71) MEN1KMT2ATSHRKDM4EALDH1A1

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-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7803793-B2 Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
CN-101547908-A Heterocyclic derived metalloprotease inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN disclosed
US-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-01 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 (2 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-20080103129-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 GLO1 1450/4885MMP2 16/4885MMP9 8/4885
US-20100279986-A1 HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS ADAM17, MMP25, ADAM33 GLO1 1450/4885MMP2 16/4885MMP9 8/4885

“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.