SCHEMBL2953221

SCHEMBL2953221

N#Cc1cccc(CCC(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.45
FFAR1 O14842 8/20 0.43
FFAR4 Q5NUL3 1/20 0.42
CES1 P23141 2/20 0.41
KEAP1 Q14145 1/20 0.40
DAGLA Q9Y4D2 2/20 0.39
NCEH1 Q6PIU2 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL2962120 0.85 MMP2 (0.40) CTSKFFAR1FFAR4CES1DAGLA
SCHEMBL29593228 0.83 SOS2 (0.39) CES1
SCHEMBL24031001 0.83 SOS2 (0.39) CES1
SCHEMBL6783633 0.82 KEAP1 (0.52) FFAR1KEAP1
SCHEMBL2952813 0.80 MMP2 (0.41) CTSKFFAR1FFAR4CES1DAGLA
SCHEMBL2956236 0.80 MAPK1 (0.40) CES1DAGLA
SCHEMBL21199960 0.79 HSD11B1 (0.44) CTSK
SCHEMBL14732983 0.78 KCNH2 (0.44) CTSKCES1DAGLA
SCHEMBL2962806 0.78 ALDH1A1 (0.38) CTSKCES1DAGLA
SCHEMBL17115651 0.78 NPSR1 (0.40) CTSKCES1

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
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN 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-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 CTSK 2868/4885FFAR1 2851/4885FFAR4 3518/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CTSK 2868/4885FFAR1 2851/4885FFAR4 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.