SCHEMBL4082720

SCHEMBL4082720

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
CDYL Q9Y232 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MCL1 Q07820 2/20 0.32
FLT3 P36888 2/20 0.32
MAPK1 P28482 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
ALK Q9UM73 1/20 0.30
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30
BAD Q92934 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL4087175 0.91 CASP3 (0.34) KDM4EMCL1MAPTMEN1KMT2A
SCHEMBL4085450 0.89 KDM4E (0.36) KDM4EMCL1MAPK1MAPTMEN1
SCHEMBL4092707 0.88 MAPT (0.33) KDM4EMAPTMEN1KMT2ACASP3
SCHEMBL4082600 0.86 EGFR (0.38) KDM4EMCL1MAPTMEN1KMT2A
SCHEMBL13940269 0.85 MCL1 (0.31) KDM4EMCL1MAPTCASP3SENP8
SCHEMBL4094700 0.83 POLB (0.33) KDM4EMCL1CASP3SENP8SENP7
SCHEMBL4082987 0.83 CYP3A4 (0.31) KDM4EMAPK1
SCHEMBL4094643 0.83 HDAC6 (0.42) MCL1MEN1KMT2ACASP3SENP8
SCHEMBL4622103 0.82 LMNA (0.35) HTTKDM4EMAPTMEN1KMT2A
SCHEMBL4093006 0.81 MEN1 (0.33) HTTKDM4EMCL1MAPTMEN1

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
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 HTT 2549/4885CDYL 3834/4885KDM4E 3212/4885

“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.