SCHEMBL6114282

SCHEMBL6114282

CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.70
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA9 Q16790 4/20 0.55
VCAM1 P19320 1/20 0.54
MAPT P10636 7/20 0.52
PKM P14618 3/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL2288074 0.82 VCAM1 (0.58) CA2CA12CA1CA9VCAM1
SCHEMBL10528943 0.82 CA2 (1.00) CA2CA12CA1CA9VCAM1
SCHEMBL1700058 0.81 CA2 (0.64) CA2CA12CA1CA9VCAM1
SCHEMBL10529622 0.80 CA2 (1.00) CA2CA12CA1CA9VCAM1
SCHEMBL2831588 0.79 CA2 (0.66) CA2CA12CA1CA9VCAM1
SCHEMBL8973769 0.78 TXNRD1 (0.66) MAPTKMT2ATDP1GAAMAPK1
SCHEMBL6114024 0.78 HSD17B10 (0.66) CA2CA12CA1CA9MAPT
SCHEMBL23302290 0.76 PDE7A (0.54) CA2MAPTTDP1MAPK1SMN1; SMN2
SCHEMBL8780956 0.76 MAPT (0.48) CA2MAPTSMN1; SMN2ALDH1A1
SCHEMBL15647017 0.76 VCAM1 (0.48) CA2VCAM1MAPTKMT2ATDP1

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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 CA2 1875/4885CA12 2638/4885CA1 835/4885

“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.