SCHEMBL8737746

SCHEMBL8737746

CC(=O)Nc1nc(C)c(-c2csc(Nc3cc(S(C)(=O)=O)ccc3OC(C)C)n2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.58
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 7/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HTT P42858 4/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
PIK3CG P48736 1/20 0.53
GAA P10253 4/20 0.53
LMNA P02545 4/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8737751 0.92 MMP9 (0.57) MMP9MEN1KMT2APOLBMAPT
SCHEMBL8738399 0.90 MMP9 (0.72) MMP9MEN1KMT2AMAPTALDH1A1
Bromide SCHEMBL6114628 0.90 MMP9 (0.70) MMP9MEN1KMT2AMAPTALDH1A1
SCHEMBL8737956 0.87 MEN1 (0.57) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8739511 0.87 MMP9 (0.61) MMP9MEN1KMT2APOLBMAPT
SCHEMBL14053770 0.87 MMP9 (0.64) MMP9MEN1KMT2APOLBMAPT
SCHEMBL8738702 0.87 MEN1 (0.58) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8737774 0.85 MMP9 (0.59) MMP9MEN1KMT2APOLBMAPT
SCHEMBL14053475 0.85 MMP9 (0.80) MMP9MEN1KMT2APOLBMAPT
Bromide SCHEMBL6114360 0.84 MMP9 (0.58) MMP9MEN1KMT2APOLBMAPT

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 3 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
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

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 MMP9 2/4885MEN1 2298/4885KMT2A 2435/4885

“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.