SCHEMBL13199844

SCHEMBL13199844

Cc1cc(CCC(=O)OC(C)(C)C)nc(-c2nc(=O)c3ccc(Cl)cc3s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
BCL2 P10415 2/20 0.32
BCL2L1 Q07817 2/20 0.32
MCL1 Q07820 2/20 0.32
BAD Q92934 2/20 0.32
STING1 Q86WV6 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BRD4 O60885 3/20 0.31
BRD2 P25440 3/20 0.31

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
SCHEMBL3146975 0.89 MIF (0.33) CASP3SENP8SENP7SENP6BCL2
SCHEMBL13199840 0.87 MIF (0.42) CASP3SENP7SENP6STING1MAPT
SCHEMBL4094700 0.87 POLB (0.33) CASP3SENP8SENP7SENP6MCL1
SCHEMBL2958572 0.86 HDAC6 (0.45) CASP3SENP8SENP7SENP6BCL2
SCHEMBL13200382 0.86 SENP7 (0.34) CASP3SENP8SENP7SENP6BCL2
SCHEMBL13199827 0.82 GABRA1 (0.35) CASP3SENP8SENP7SENP6BCL2
SCHEMBL2952896 0.82 MIF (0.34) BCL2L1MCL1STING1MAPTNPC1
SCHEMBL4083068 0.81 PIK3CD (0.33) STING1MAPTNPC1RAB9AALDH1A1
SCHEMBL13199826 0.77 MIF (0.33) STING1CNR1
SCHEMBL4085450 0.77 KDM4E (0.36) CASP3SENP8SENP7SENP6MCL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 CASP3 53/4885SENP8 4749/4885SENP7 4671/4885

“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.