SCHEMBL9886019

SCHEMBL9886019

O=C(c1ccc(B(O)O)cc1F)N1CCS(=O)(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.46
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 3/20 0.40
ALOX5AP P20292 3/20 0.40
FEN1 P39748 3/20 0.40
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2516616 0.85 CPS1 (0.54) CPS1KDM4EKMT2ATSHRMEN1
SCHEMBL29951438 0.84 CPS1 (0.52) CPS1KDM4EKMT2ATSHRMEN1
SCHEMBL951604 0.82 MAPT (0.55) CPS1KDM4EEPHX2KMT2ATSHR
SCHEMBL23748561 0.80 CPS1 (0.48) CPS1KDM4EEPHX2ALOX5APFEN1
SCHEMBL2799115 0.80 DGAT1 (0.49) CPS1KDM4EEPHX2ALOX5APFEN1
SCHEMBL23748555 0.76 MAPT (0.54) CPS1KMT2AMEN1HTTHPGD
SCHEMBL951383 0.76 CNR1 (0.42) CPS1KDM4EHPGD
SCHEMBL17404610 0.76 CPS1 (0.50) CPS1EPHX2KMT2AMEN1
SCHEMBL29952444 0.74 TSHR (0.55) CPS1KMT2ATSHRMEN1HPGD
SCHEMBL29951371 0.72 TSHR (0.57) CPS1KDM4EKMT2ATSHRMEN1

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
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 CPS1 2464/4885KDM4E 1087/4885EPHX2 2772/4885

“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.