SCHEMBL8738400

SCHEMBL8738400

Cc1nc(C)c(-c2csc(Nc3cc(S(N)(=O)=O)ccc3OC(F)(F)F)n2)s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 4/20 0.56
MAPT P10636 4/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
OPRM1 P35372 9/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 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
Hydrochloric Acid SCHEMBL6114154 0.99 MEN1 (0.55) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL8737712 0.94 MEN1 (0.55) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL8737705 0.89 MEN1 (0.71) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL8738022 0.86 MAPT (0.67) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6112665 0.86 MEN1 (0.56) MEN1KMT2AGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL6113974 0.85 MAPT (0.66) MEN1KMT2AGAAMAPTMAPK1
Bromide SCHEMBL6114088 0.85 MEN1 (0.56) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL8739086 0.83 MEN1 (0.59) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL6114137 0.83 MEN1 (0.56) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL14053848 0.81 MAPT (0.71) MEN1KMT2AGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2298/4885KMT2A 2435/4885GAA 2635/4885

“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.