SCHEMBL4083069

SCHEMBL4083069

C[S+]([O-])c1cc(CCC(=O)O)nc(-c2nc(=O)c3ccccc3s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.43
GABRA1 P14867 1/20 0.43
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
NPSR1 Q6W5P4 5/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.36
RECQL P46063 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL4082952 0.87 MIF (0.39) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2959808 0.84 MIF (0.47) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2953180 0.84 MIF (0.43) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4622513 0.82 MIF (0.45) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4082764 0.80 MIF (0.44) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2956546 0.80 MIF (0.53) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL13964683 0.79 MIF (0.42) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2956926 0.77 MIF (0.46) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2952248 0.76 MIF (0.60) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2958704 0.74 MIF (0.44) MIFGABRA1ALDH1A1SMN1; SMN2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF MIF, CCL2, MSR1 MIF 1/4885GABRA1 3052/4885ALDH1A1 134/4885

“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.