SCHEMBL2799115

SCHEMBL2799115

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.49
CPS1 P31327 3/20 0.48
CCKBR P32239 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL2799118 0.88 DGAT1 (0.49) DGAT1CPS1CCKBRKDM4EALDH1A1
SCHEMBL1424241 0.84 CCKBR (0.56) DGAT1CPS1CCKBRALDH1A1SMN1; SMN2
SCHEMBL30791513 0.84 CCKBR (0.56) DGAT1CPS1CCKBRALDH1A1SMN1; SMN2
SCHEMBL643698 0.84 CPS1 (0.60) DGAT1CPS1CCKBRKDM4EALDH1A1
SCHEMBL1447852 0.84 CPS1 (0.56) DGAT1CPS1KDM4EALDH1A1NPC1
SCHEMBL969401 0.83 CCKBR (0.58) DGAT1CPS1CCKBRALDH1A1SMN1; SMN2
SCHEMBL23748561 0.82 CPS1 (0.48) CPS1KDM4EALOX5APFEN1KMT2A
SCHEMBL16129353 0.82 HPGD (0.42) ALDH1A1NPC1GAARAB9ATP53
SCHEMBL968813 0.81 MAPT (0.57) DGAT1CPS1NPC1GAARAB9A
SCHEMBL29897652 0.81 MAPT (0.57) DGAT1CPS1NPC1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
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-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
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
EP-2155201-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES Novartis Ag (CH) 2010-02-24 EP disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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
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 (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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 DGAT1 4565/4885CPS1 2464/4885CCKBR 1243/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 DGAT1 4397/4885CPS1 3296/4885CCKBR 979/4885

“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.