SCHEMBL6113997

SCHEMBL6113997

Cc1nc(C(=O)O)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 14/20 0.47
KMT2A Q03164 14/20 0.47
MAPT P10636 12/20 0.47
GAA P10253 7/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 5/20 0.47
HTT P42858 5/20 0.47
CFTR P13569 4/20 0.47
LMNA P02545 4/20 0.47
ALB P02768 1/20 0.47
HSD17B10 Q99714 1/20 0.46
XDH P47989 1/20 0.46

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
SCHEMBL8737778 0.91 MEN1 (0.45) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL6114193 0.90 MEN1 (0.58) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8738028 0.90 MEN1 (0.56) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6122343 0.90 TRPV4 (0.49) TDP1MEN1KMT2AMAPTGAA
Bromide SCHEMBL6113988 0.89 MEN1 (0.56) TDP1POLBL3MBTL1MEN1KMT2A
Bromide SCHEMBL6113998 0.89 MEN1 (0.57) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL8738335 0.89 MAPT (0.55) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL6113947 0.88 MEN1 (0.57) TDP1POLBL3MBTL1MEN1KMT2A
SCHEMBL6113996 0.87 MAPT (0.48) TDP1MEN1KMT2AMAPTGAA
SCHEMBL8738815 0.87 MEN1 (0.46) TDP1POLBL3MBTL1MEN1KMT2A

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
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
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 TDP1 1187/4885POLB 1903/4885L3MBTL1 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.