SCHEMBL4094700

SCHEMBL4094700

CC(C)(C)OC(=O)CCc1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccc(Cl)cc3s2)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MCL1 Q07820 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
STING1 Q86WV6 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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 0.90 PIK3CD (0.33) POLBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4082600 0.90 EGFR (0.38) POLBMCL1CASP3SENP8SENP7
SCHEMBL4088762 0.90 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CGSTING1
SCHEMBL4085450 0.89 KDM4E (0.36) POLBMCL1CASP3SENP8SENP7
SCHEMBL4089531 0.88 MIF (0.39) POLBCASP3SENP7SENP6PIK3CD
SCHEMBL13199844 0.87 CASP3 (0.33) MCL1CASP3SENP8SENP7SENP6
SCHEMBL4094643 0.87 HDAC6 (0.42) MCL1CASP3SENP8SENP7SENP6
SCHEMBL4087175 0.87 CASP3 (0.34) MCL1CASP3SENP8SENP7SENP6
SCHEMBL13940269 0.86 MCL1 (0.31) POLBMCL1CASP3SENP8SENP7
SCHEMBL3146975 0.85 MIF (0.33) MCL1CASP3SENP8SENP7SENP6

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 POLB 2303/4885MCL1 1643/4885CASP3 644/4885

“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.