SCHEMBL2961287

SCHEMBL2961287

Cc1cc(CCC(=O)O)ccn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.64
KEAP1 Q14145 1/20 0.47
FFAR4 Q5NUL3 2/20 0.47
TBXAS1 P24557 1/20 0.46
SYK P43405 2/20 0.45
P4HTM Q9NXG6 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL13492630 0.89 FFAR1 (0.64) FFAR1KEAP1TBXAS1SYK
SCHEMBL4596387 0.86 FFAR1 (0.49) FFAR1
SCHEMBL3398155 0.84 FFAR1 (0.48) FFAR1
SCHEMBL12087467 0.82 FFAR1 (0.64) FFAR1FFAR4SYK
SCHEMBL14197633 0.82 FFAR1 (0.47) FFAR1SYK
SCHEMBL7962910 0.81 FFAR1 (0.51) FFAR1KEAP1TBXAS1P4HTM
SCHEMBL3092847 0.81 GABRP (0.62) FFAR1
SCHEMBL4355540 0.80 UHRF1 (0.54) FFAR1
SCHEMBL16318640 0.80 CYP4F2 (0.55) FFAR1SYK
SCHEMBL30096050 0.80 CCR1 (0.53) FFAR1FFAR4TBXAS1SYK

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 6 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
CN-1942467-A 2, 4, 6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO INC (US) 2007-04-04 CN 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 FFAR1 2851/4885KEAP1 578/4885FFAR4 3518/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 FFAR1 2851/4885KEAP1 578/4885FFAR4 3518/4885

“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.