SCHEMBL2952896

SCHEMBL2952896

Cc1ccc2c(=O)nc(-c3cccc(CCC(=O)OC(C)(C)C)n3)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.34
GABRA1 P14867 1/20 0.34
MCL1 Q07820 2/20 0.34
STING1 Q86WV6 1/20 0.32
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
P2RY12 Q9H244 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAOB P27338 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 5/20 0.31
HTT P42858 2/20 0.31
PAX8 Q06710 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
KLF5 Q13887 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
SCHEMBL3146975 0.90 MIF (0.33) MIFGABRA1MCL1STING1P2RY12
SCHEMBL13199826 0.90 MIF (0.33) MIFGABRA1STING1P2RY12
SCHEMBL2955664 0.89 DYRK1A (0.37) MIFGABRA1STING1GAALMNA
SCHEMBL13199721 0.88 MIF (0.46) MIFGABRA1STING1KMT2AMEN1
SCHEMBL2960615 0.88 DYRK1A (0.34) MIFGABRA1KMT2AMEN1P2RY12
SCHEMBL2952825 0.86 MIF (0.38) MIFGABRA1MCL1KMT2AGAA
SCHEMBL4083068 0.85 PIK3CD (0.33) STING1KMT2AMEN1MAPTPOLB
SCHEMBL13199840 0.82 MIF (0.42) MIFGABRA1STING1KMT2AGAA
SCHEMBL13199844 0.82 CASP3 (0.33) MCL1STING1MAPTSMN1; SMN2BCL2L1
SCHEMBL2964093 0.80 MIF (0.42) MIFGABRA1STING1KMT2AMEN1

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 4 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-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
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885MCL1 58/4885

“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.