SCHEMBL4083068

SCHEMBL4083068

Cc1ccc2c(=O)nc(-c3cc(S(C)(=O)=O)cc(CCC(=O)OC(C)(C)C)n3)sc2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
RORC P51449 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
STING1 Q86WV6 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL4094700 0.90 POLB (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPOLB
SCHEMBL4088762 0.90 PIK3CD (0.34) PIK3CDPIK3CAPIK3CBPIK3CGSTING1
SCHEMBL4089531 0.89 MIF (0.39) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL4089067 0.87 NPC1 (0.34) RORCMAPTTP53MEN1POLB
SCHEMBL2952896 0.85 MIF (0.34) MAPTTP53MEN1POLBKMT2A
SCHEMBL4621029 0.83 RORC (0.38) RORCMAPTTP53MEN1KMT2A
SCHEMBL13199844 0.81 CASP3 (0.33) MAPTSTING1NPC1ALDH1A1RAB9A
SCHEMBL4085450 0.80 KDM4E (0.36) MAPTTP53MEN1POLBKMT2A
SCHEMBL4082600 0.80 EGFR (0.38) MAPTMEN1POLBKMT2A
SCHEMBL13199840 0.79 MIF (0.42) MAPTTP53MEN1POLBKMT2A

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 1 patent. 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

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 PIK3CD 4726/4885PIK3CA 4735/4885PIK3CB 4650/4885

“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.