SCHEMBL2956400

SCHEMBL2956400

OC(=S)c1ccc(Br)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.44
CES2 O00748 1/20 0.43
GALR3 O60755 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ERN1 O75460 1/20 0.38
GSTA1 P08263 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL27854521 0.82 ALOX15 (0.59) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL11418436 0.79 ALOX15 (0.46) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL467470 0.77 ALDH1A1 (0.61) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL1743890 0.76 ALDH1A1 (0.41) CYP1A2MAPTKDM4EGLAALDH1A1
SCHEMBL27634539 0.76 ALDH1A1 (0.43) CASP1MAPTKDM4EALDH1A1TSHR
SCHEMBL20505340 0.74 CES2 (0.55) ALOX15CES2GALR3CYP1A2CYP2C9
SCHEMBL2956458 0.73 HSD17B10 (0.50) ALOX15CYP2C9HPGDCASP1CYP2C19
SCHEMBL2949445 0.73 CA9 (0.50) CES2HPGDMAPTKDM4ELMNA
SCHEMBL10398141 0.73 ALDH1A1 (0.63) ALOX15CYP2C9HPGDCASP1CYP2C19
SCHEMBL11458191 0.73 ERN1 (0.38) CES2HPGDMAPTKDM4EERN1

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 5 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
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 (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 ALOX15 1537/4885CES2 4801/4885GALR3 4544/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALOX15 1537/4885CES2 4801/4885GALR3 4544/4885

“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.