SCHEMBL6114367

SCHEMBL6114367

CCSc1ccc(S(N)(=O)=O)cc1N=C=S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.46
CA1 P00915 5/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MIF P14174 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 4/20 0.38
CA7 P43166 2/20 0.38
CA13 Q8N1Q1 1/20 0.38
ALOX15 P16050 1/20 0.38
CA9 Q16790 3/20 0.37
CA4 P22748 2/20 0.37
SLC6A4 P31645 1/20 0.35

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
SCHEMBL6113000 0.75 CA1 (0.50) CA2CA1ALDH1A1LMNAMIF
SCHEMBL6114024 0.74 HSD17B10 (0.66) CA2CA1ALDH1A1HSD17B10CYP1A2
SCHEMBL6112832 0.72 PTGS2 (0.52) CA2CA1ALDH1A1LMNACYP1A2
SCHEMBL6114282 0.70 CA2 (0.70) CA2CA1ALDH1A1CA12CA9
SCHEMBL6112876 0.69 CA2 (0.46) CA2CA1ALDH1A1LMNAMIF
SCHEMBL6113077 0.69 CA2 (0.46) CA2CA1ALDH1A1LMNAMIF
SCHEMBL6114161 0.69 PLK1 (0.42) CA2CA1ALDH1A1HSD17B10CYP1A2
SCHEMBL14059454 0.66 NQO2 (0.49) CA2CA1ALDH1A1LMNAHSD17B10
SCHEMBL1476527 0.65 CA2 (1.00) CA2CA1ALDH1A1LMNAMIF
SCHEMBL8598905 0.64 ALDH1A1 (0.31) ALDH1A1LMNA

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
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
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 CA2 1875/4885CA1 835/4885ALDH1A1 648/4885

“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.