SCHEMBL4089531

SCHEMBL4089531

CC(C)(C)OC(=O)CCc1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
GABRA1 P14867 1/20 0.39
PAX8 Q06710 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
MAPT P10636 5/20 0.32
NPSR1 Q6W5P4 4/20 0.32
RXFP1 Q9HBX9 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NFKB1 P19838 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL4083068 0.89 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4088762 0.88 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CGSTING1
SCHEMBL4094700 0.88 POLB (0.33) PIK3CDPIK3CAPIK3CBPIK3CGNPSR1
SCHEMBL13199840 0.87 MIF (0.42) MIFGABRA1PAX8ALDH1A1MEN1
SCHEMBL4082764 0.86 MIF (0.44) MIFGABRA1ALDH1A1MEN1KMT2A
SCHEMBL4096403 0.85 MIF (0.41) MIFGABRA1PAX8ALDH1A1MEN1
SCHEMBL13199721 0.84 MIF (0.46) MIFGABRA1PAX8ALDH1A1MEN1
SCHEMBL13200535 0.84 MIF (0.39) MIFGABRA1PAX8PIK3CDPIK3CA
SCHEMBL4082952 0.83 MIF (0.39) MIFGABRA1PAX8ALDH1A1MEN1
SCHEMBL13200377 0.80 MIF (0.41) MIFGABRA1PAX8ALDH1A1MEN1

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 MIF 1/4885GABRA1 3052/4885PAX8 4826/4885

“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.