SCHEMBL2462671

SCHEMBL2462671

CCCCCc1ccnc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FUT7 Q11130 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.37
KCNH2 Q12809 5/20 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
SCHEMBL10181555 0.78 PPARA (0.56) CA2CA1CA9FUT7PPARG
SCHEMBL10179904 0.77 CA2 (0.62) CA2CA1CA9FUT7PPARG
SCHEMBL7930478 0.77 CA2 (0.50) CA2CA1CA9KDM4EFUT7
SCHEMBL31195751 0.76 FUT7 (0.45) CA2CA1CA9FUT7PPARG
SCHEMBL10179761 0.76 HTT (0.48) CA2CA1CA9KDM4EFUT7
SCHEMBL9698561 0.76 FUT7 (0.45) CA2CA1CA9FUT7PPARG
SCHEMBL10455918 0.76 PPARG (0.42) CA2CA1CA9PPARGPPARA
SCHEMBL9698633 0.76 FUT7 (0.45) CA2CA1CA9FUT7PPARG
SCHEMBL20048158 0.76 PPARA (0.42) CA2CA1CA9FUT7PPARG
SCHEMBL22666338 0.76 CA2 (0.49) CA2CA1CA9KDM4EFUT7

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
US-8415380-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GATTI MCARTHUR SILVIA 2011-10-27 US disclosed
US-8012986-B2 Pyridine and pyrimidine derivatives as MGLUR2 antagonists HOFFMANN-LA ROCHE INC. (US) 2011-09-06 US disclosed
EP-2142527-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-12-29 EP disclosed
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMAN-LA ROCHE, INC. 2008-11-13 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-20110263615-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 LNPEP 4024/4885CA2 1480/4885CA1 3909/4885
US-20080280924-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS GRM2, GRIN2B, GRM1 LNPEP 4024/4885CA2 1480/4885CA1 3909/4885

“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.