SCHEMBL2926613

SCHEMBL2926613

COc1ccc(CCC[C@@H]2Sc3ccc(C(=O)O)cc3N(CC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR7 P34969 1/20 0.36
DRD2 P14416 1/20 0.36
CCKBR P32239 1/20 0.35
PTGS1 P23219 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLA2G4A P47712 1/20 0.34

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
SCHEMBL2921270 1.00 GAA (0.38) GAASMN1; SMN2HTR7DRD2CCKBR
SCHEMBL12888485 0.90 PABPC1 (0.39) SMN1; SMN2DRD2PTGS1CYP3A4CYP2C9
SCHEMBL1239775 0.90 PABPC1 (0.39) SMN1; SMN2DRD2PTGS1CYP3A4CYP2C9
SCHEMBL1237123 0.90 PABPC1 (0.39) SMN1; SMN2DRD2PTGS1CYP3A4CYP2C9
SCHEMBL1238384 0.90 PABPC1 (0.39) SMN1; SMN2DRD2PTGS1CYP3A4CYP2C9
SCHEMBL12888392 0.90 SMN1; SMN2 (0.40) GAASMN1; SMN2DRD2CCKBRPTGS1
SCHEMBL12888484 0.86 SMN1; SMN2 (0.40) GAASMN1; SMN2HTR7DRD2
SCHEMBL12888440 0.86 SMN1; SMN2 (0.40) GAASMN1; SMN2HTR7DRD2
SCHEMBL1236963 0.86 SMN1; SMN2 (0.40) GAASMN1; SMN2HTR7DRD2
SCHEMBL12888487 0.86 SMN1; SMN2 (0.40) GAASMN1; SMN2HTR7DRD2

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
EP-1726587-B1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR DAINIPPON SUMITOMO PHARMA CO (JP) 2010-09-01 EP disclosed
US-20100009976-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-01-14 US disclosed
US-7598240-B2 Benzothiazin-3-one compound and intermediate therefor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-06 US disclosed
US-20080058321-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-03-06 US disclosed
EP-1726587-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-11-29 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-20100009976-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR HDAC11, HDAC8, MMP11 GAA 804/4885SMN1; SMN2 4702/4885HTR7 2307/4885
US-20080058321-A1 BENZOTHIAZIN-3-ONE COMPOUND AND INTERMEDIATE THEREFOR HDAC11, HDAC8, MMP11 GAA 804/4885SMN1; SMN2 4702/4885HTR7 2307/4885

“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.