SCHEMBL2961564

SCHEMBL2961564

Cc1cccc2c(=O)nc(-c3cccc(CCC(=O)O)n3)sc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
RXRA P19793 3/20 0.36
EGFR P00533 1/20 0.36
PRNP P04156 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
RXRB P28702 2/20 0.34
MIF P14174 1/20 0.34
GABRA1 P14867 1/20 0.34
RXRG P48443 1/20 0.34
NR4A2 P43354 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 6/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL2956546 0.82 MIF (0.53) PARP1PARP2HPGDNPSR1RXFP1
SCHEMBL2963131 0.81 ECE1 (0.47) HPGDMIFGABRA1
SCHEMBL2952825 0.80 MIF (0.38) PARP1PARP2RXRAEGFRRXRB
SCHEMBL2952932 0.76 MIF (0.38) RXRANPSR1HDAC6RXRBMIF
SCHEMBL2953232 0.76 HDAC6 (0.46) RXRARXFP1HDAC6RXRBMIF
SCHEMBL2949707 0.75 ITGB3 (0.42) RXRAPRNPNPSR1RXFP1RXRB
SCHEMBL2952055 0.75 MIF (0.50) RXRAHPGDNPSR1RXFP1RXRB
SCHEMBL2961293 0.74 MIF (0.49) RXRAPRNPNPSR1RXFP1RXRB
SCHEMBL2952820 0.73 CTSK (0.43) RXRARXRBMIFGABRA1RXRG
SCHEMBL2963140 0.73 HPGD (0.53) HPGDNPSR1

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 4 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
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 (1 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 PARP1 3472/4885PARP2 4610/4885RXRA 2766/4885

“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.