SCHEMBL13199750

SCHEMBL13199750

CCOC(=O)CCSc1ccc(-c2nc(=O)c3ccccc3s2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 4/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL4197061 0.84 KDM4E (0.40) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL2962340 0.82 ALDH1A1 (0.45) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL2958056 0.81 HDAC1 (0.40) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL13199741 0.79 MIF (0.43) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL13217168 0.78 MIF (0.44) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL2956556 0.77 MIF (0.45) MAPTKMT2AKDM4EALDH1A1RXFP1
SCHEMBL2962468 0.76 MIF (0.51) MAPTKMT2AKDM4EALDH1A1RXFP1
SCHEMBL2955526 0.75 GABRA1 (0.48) MAPTKMT2AKDM4EALDH1A1RXFP1
SCHEMBL2964410 0.73 GABRA1 (0.43) MAPTKMT2AKDM4EALDH1A1RXFP1
SCHEMBL13200070 0.73 PRNP (0.48) KMT2AKDM4EPOLBALDH1A1RXFP1

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-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 MAPT 3466/4885KMT2A 3139/4885KDM4E 3627/4885

“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.