SCHEMBL8738022

SCHEMBL8738022

CCOc1ccc(S(N)(=O)=O)cc1Nc1nc(-c2sc(C)nc2C)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 3/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
OPRM1 P35372 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CFTR P13569 1/20 0.51
CYP2D6 P10635 1/20 0.51
TRPV4 Q9HBA0 1/20 0.49
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48

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 SCHEMBL6113974 0.99 MAPT (0.66) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8737705 0.89 MEN1 (0.71) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL6112665 0.87 MEN1 (0.56) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8738400 0.86 MEN1 (0.56) MAPTALDH1A1KDM4ETDP1MEN1
Bromide SCHEMBL6114088 0.86 MEN1 (0.56) MAPTALDH1A1KDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL6114154 0.85 MEN1 (0.55) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8737712 0.85 MEN1 (0.55) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8739086 0.84 MEN1 (0.59) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8737701 0.84 OPRM1 (0.58) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8739106 0.83 MAPT (0.67) MAPTALDH1A1KDM4ETDP1MEN1

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 MAPT 3531/4885ALDH1A1 648/4885KDM4E 1135/4885

“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.