SCHEMBL2954012

SCHEMBL2954012

C[Si](C)(C)CCOC(=O)CCCCc1cccc(C#N)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 2/20 0.38
▸ CES1 P23141 2/20 0.37
▸ NCEH1 Q6PIU2 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYSLTR2 Q9NS75 2/20 0.34
▸ CYSLTR1 Q9Y271 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ DGKA P23743 1/20 0.33

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
SCHEMBL2953417 0.99 DAGLA (0.39) DAGLACES1NCEH1ALDH1A1POLB
SCHEMBL2958200 0.85 CYP4F2 (0.48) DAGLACES1ALDH1A1SMN1; SMN2CYSLTR2
SCHEMBL11031371 0.84 CYP4F2 (0.47) DAGLACES1ALDH1A1CYSLTR2CYSLTR1
SCHEMBL2952437 0.77 KCNH2 (0.40) CES1ALDH1A1KCNH2CYP4F2CYP4A11
SCHEMBL2955452 0.77 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2CYP4F2CYP4A11
SCHEMBL2959192 0.76 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2CYP4F2CYP4A11DGKA
SCHEMBL22120171 0.73 KCNH2 (0.52) DAGLACES1NCEH1KCNH2
SCHEMBL14732983 0.72 KCNH2 (0.44) DAGLACES1L3MBTL1KCNH2
SCHEMBL2961304 0.71 ALDH1A1 (0.34) DAGLACES1ALDH1A1L3MBTL1KCNH2
SCHEMBL9298287 0.70 ALDH1A1 (0.42) ALDH1A1

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 DAGLA 4839/4885CES1 1955/4885NCEH1 2494/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 DAGLA 4839/4885CES1 1955/4885NCEH1 2494/4885

“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.

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