SCHEMBL2959192

SCHEMBL2959192

C[Si](C)(C)CCOC(=O)CCCCCCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NAAA Q02083 2/20 0.46
HRH1 P35367 1/20 0.46
TLR2 O60603 1/20 0.44
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DGKA P23743 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 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
SCHEMBL2955452 0.99 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C19NAAAHRH1
SCHEMBL6646352 0.84 CYP4F2 (0.56) SMN1; SMN2CYP1A2CYP2C19HRH1TLR2
SCHEMBL2964336 0.82 CYP4F2 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1TLR2
SCHEMBL6643882 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19NAAAHRH1
Hydrochloric Acid SCHEMBL10659395 0.81 DGKA (0.55) SMN1; SMN2CYP1A2CYP2C19TLR2HPGD
SCHEMBL8868152 0.80 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP2C19NAAAHRH1
SCHEMBL11534635 0.79 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19NAAAHRH1
SCHEMBL11532136 0.79 TDP1 (0.55) SMN1; SMN2CYP1A2CYP2C19NAAAHRH1
SCHEMBL1859504 0.78 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2C19HRH1ALDH1A1
SCHEMBL11531289 0.78 NAAA (0.53) SMN1; SMN2CYP1A2CYP2C19NAAAHRH1

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 8 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
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 SMN1; SMN2 388/4885CYP1A2 2284/4885CYP2C19 2898/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 SMN1; SMN2 388/4885CYP1A2 2284/4885CYP2C19 2898/4885

“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.