SCHEMBL4093985

SCHEMBL4093985

COC(=O)c1ccc(SCl)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.61
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CA7 P43166 6/20 0.61
CA9 Q16790 6/20 0.61
CA14 Q9ULX7 6/20 0.61
PDK2 Q15119 1/20 0.61
PDK4 Q16654 1/20 0.61
GAA P10253 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 3/20 0.50
MYC P01106 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ABL1 P00519 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL3152318 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL10374434 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL19980800 0.81 SMN1; SMN2 (0.51) GAASMN1; SMN2LMNATSHRKDM4E
SCHEMBL19980835 0.81 ABL1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3157799 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4269948 0.80 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL2956460 0.78 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL13813811 0.78 GAA (0.43) CA12CA1CA2CA7CA9
SCHEMBL4275935 0.78 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL32662867 0.77 CA12 (0.67) CA12CA1CA2CA7CA9

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
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP 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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF MIF, CCL2, MSR1 CA12 4578/4885CA1 3905/4885CA2 2981/4885

“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.