SCHEMBL2928207

SCHEMBL2928207

CCCCCS(=O)(=O)C1=Cc2ccccc2ON1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.34
EPHX2 P34913 1/20 0.34
GSR P00390 1/20 0.33
TXNRD1 Q16881 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL27684323 0.74 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL31326790 0.73 TSHR (0.35)
SCHEMBL30023154 0.71 ELANE (0.37) SOAT1MEN1KMT2A
SCHEMBL27938466 0.70 ESR1 (0.34)
SCHEMBL27414312 0.70 LIPG (0.37) PTPN1
SCHEMBL30137202 0.70 LIPG (0.37) PTPN1
SCHEMBL29157733 0.69 LTA4H (0.39) PTPN1MEN1KMT2A
SCHEMBL2033434 0.69 CA2 (0.34)
SCHEMBL2445501 0.66 PSIP1 (0.61)
Benzene SCHEMBL6390523 0.66 PSIP1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797051-B1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
CN-100532369-C Benzoxazine derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
US-7378415-B2 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-05-27 US disclosed
CN-101031554-A Benzoxazine and quinoxaline derivatives and uses HOFFMANN LA ROCHE (CH) 2007-09-05 CN disclosed
EP-1694656-B1 BENZOXAZINE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2007-08-29 EP disclosed
EP-1797051-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-7202241-B2 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-04-10 US disclosed
CN-1890227-A Benzoxazine derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1694656-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof ROCHE PALO ALTO LLC 2006-05-18 US disclosed
WO-2006037481-A1 BENZOXAZINE AND QUINOXALINE DERIVATIVES AND USES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
WO-2005058847-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050124613-A1 Benzoxazine derivatives and uses thereof ROCHE PALO ALTO LLC 2005-06-09 US 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-20050124613-A1 Benzoxazine derivatives and uses thereof XDH, CYP4X1, CYP2C9 SOAT1 4514/4885EPHX2 902/4885GSR 1142/4885
US-20060106012-A1 Benzoxazine and quinoxaline derivatives and uses thereof XDH, PDHX, HAX1 SOAT1 4311/4885EPHX2 1746/4885GSR 1048/4885

“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.