SCHEMBL2962183

SCHEMBL2962183

COC(=O)Cc1ccc(-c2nc(=O)c3ccccc3s2)cn1.O=c1nc(-c2ccc(CO)cn2)sc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 2/20 0.44
MIF P14174 1/20 0.43
GABRA1 P14867 1/20 0.43
KDM4E B2RXH2 6/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13199681 0.81 MIF (0.62) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL6603841 0.74 MIF (0.43) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2964410 0.74 GABRA1 (0.43) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL13199679 0.72 GABRA1 (0.53) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2952702 0.72 MIF (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL13200441 0.71 MIF (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2958671 0.71 MIF (0.59) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2959052 0.70 MIF (0.55) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2962571 0.69 MIF (0.54) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2955526 0.68 GABRA1 (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 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 (2 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 RAB9A 4678/4885SMN1; SMN2 388/4885NPC1 1326/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 RAB9A 4678/4885SMN1; SMN2 388/4885NPC1 1326/4885

“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.