SCHEMBL426729

SCHEMBL426729

O=[C]NS(=O)(=O)c1cccc(Cl)c1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.54
CCR2 P41597 4/20 0.49
SLC40A1 Q9NP59 1/20 0.48
ACLY P53396 1/20 0.47
CCR4 P51679 1/20 0.44
BRD4 O60885 1/20 0.41
KAT6A Q92794 2/20 0.41
HTR6 P50406 1/20 0.39
SGK1 O00141 3/20 0.37
KIT P10721 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL424725 0.82 ALDH1A1 (0.50) SLC40A1ALDH1A1GAA
SCHEMBL16002844 0.79 PTGES2 (0.56) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL426730 0.76 PTGES2 (0.54) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL16000125 0.75 PTGES2 (0.52) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL28593075 0.75 PTGES2 (0.52) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL426957 0.74 PSEN1 (0.47) KAT6AALDH1A1GAA
SCHEMBL11161302 0.74 PTGES2 (0.50) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL532898 0.74 PTGES2 (0.50) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL30731549 0.74 PTGES2 (0.50) PTGES2CCR2SLC40A1ACLYCCR4
SCHEMBL20714714 0.72 CCR2 (0.59) PTGES2CCR2SLC40A1ACLYCCR4

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-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 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 (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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 PTGES2 3472/4885CCR2 4157/4885SLC40A1 3133/4885

“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.