SCHEMBL2961671

SCHEMBL2961671

N#Cc1cc(N2C(=O)NCC2CC(=O)O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.39
FFAR1 O14842 1/20 0.35
CHRM1 P11229 2/20 0.35
HTR3A P46098 3/20 0.35
MYC P01106 1/20 0.34
IDO1 P14902 1/20 0.34
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
KCNJ1 P48048 1/20 0.32
USP30 Q70CQ3 1/20 0.32
CTSC P53634 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
QPCT Q16769 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL28377314 0.75 CHRM4 (0.58) CHRM4CHRM1HTR3AMYCUSP30
SCHEMBL2961269 0.68 CYP2D6 (0.40) CHRM4CHRM1MYCPRMT5WDR77
SCHEMBL23232583 0.64 OPRM1 (0.47) CHRM4HTR3A
SCHEMBL25242306 0.63 GABRP (0.57) MYC
SCHEMBL29973458 0.63 CHRM4 (0.57) CHRM4CHRM1HTR3AUSP30
SCHEMBL786039 0.62 NPY5R (0.42) CHRM4CHRM1USP30
SCHEMBL20594950 0.62 IRAK4 (0.45) CHRM4CHRM1MYCUSP30
SCHEMBL23232237 0.61 CHRM4 (0.42) CHRM4CHRM1HTR3AMYCUSP30
SCHEMBL6168413 0.61 MYC (0.47) MYCUSP30
SCHEMBL2960380 0.61 FFAR1 (0.47) FFAR1MYCFFAR4

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 CHRM4 4284/4885FFAR1 2851/4885CHRM1 2760/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CHRM4 4284/4885FFAR1 2851/4885CHRM1 2760/4885

“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.