SCHEMBL12900461

SCHEMBL12900461

Nc1nc(=O)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.45
NOX4 Q9NPH5 3/20 0.40
DCK P27707 4/20 0.39
KIF11 P52732 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PDE5A O76074 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR6 P50406 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL12932953 0.86 HTR6 (0.43) DCKHTR6
SCHEMBL12900467 0.83 DCK (0.43) DCKALDH1A1PTGS2
SCHEMBL12900477 0.83 MEN1 (0.45) NOD1DCKHTR6ALDH1A1
SCHEMBL1271033 0.83 ALDH1A1 (0.48) NOD1DCKHTR6ALDH1A1
SCHEMBL1270873 0.83 DCK (0.49) NOD1DCKHTR6ALDH1A1
SCHEMBL12900482 0.80 HTR6 (0.44) NOD1DCKHTR6ALDH1A1
SCHEMBL12900473 0.80 DCK (0.44) DCKHTR6
SCHEMBL12900475 0.77 NOD1 (0.44) NOD1DCKHTR6EIF2AK3
SCHEMBL12900476 0.71 MET (0.40) DCK
Benzene SCHEMBL28349605 0.69 DCK (0.41) DCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862686-B2 N1-sulfonyl-5-fluoropyrimidinone derivatives ADAMA MAKHTESHIM LTD. (IL) 2018-01-09 US disclosed
US-20150191436-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-07-09 US disclosed
US-20150191436-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES ADAMA MAKHTESHIM LTD. (IL) 2015-07-09 US disclosed
US-9006259-B2 N1-sulfonyl-5-fluoropyrimidinone derivatives DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
US-9006259-B2 N1-sulfonyl-5-fluoropyrimidinone derivatives DOW AGROSCIENCES LLC (US) 2015-04-14 US disclosed
EP-2462134-B1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-05-07 EP disclosed
US-20110034493-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 US disclosed
WO-2011017547-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
US-20110034493-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES DOW AGROSCIENCES LLC (US) 2011-02-10 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-20150191436-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES DDT, SULT1E1, CYP1A1 NOD1 1986/4885NOX4 240/4885DCK 3154/4885
US-20110034493-A1 N1-SULFONYL-5-FLUOROPYRIMIDINONE DERIVATIVES DDT, SULT1E1, CYP1A1 NOD1 1986/4885NOX4 240/4885DCK 3154/4885

“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.