SCHEMBL13530489

SCHEMBL13530489

Cc1ccc(S(=O)(=O)Oc2ncc(F)c(/N=C/N(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HTR6 P50406 1/20 0.38
MAPK1 P28482 1/20 0.34
P2RY12 Q9H244 1/20 0.33
KMT2A Q03164 6/20 0.32
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 5/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 2/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL13529895 0.90 MAPT (0.39) GAANFE2L2HTR6KMT2AALDH1A1
SCHEMBL3173555 0.90 RAB9A (0.38) LMNAGAAKEAP1NFE2L2HTR6
SCHEMBL3173557 0.90 RAB9A (0.38) LMNAGAAKEAP1NFE2L2HTR6
SCHEMBL13529770 0.89 SMN1; SMN2 (0.38) LMNAGAANFE2L2ALDH1A1CYP2C19
SCHEMBL17011494 0.87 KEAP1 (0.38) LMNAGAAKEAP1NFE2L2MAPK1
SCHEMBL13530101 0.78 CYP1A2 (0.38) HTR6KMT2AALDH1A1MEN1CYP2C19
SCHEMBL17011470 0.77 HTT (0.35) NFE2L2KMT2AALDH1A1MEN1MAPT
SCHEMBL12514917 0.76 GAA (0.33) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL13530376 0.75 P2RY12 (0.43) LMNAGAAKEAP1NFE2L2MAPK1
SCHEMBL13750881 0.75 L3MBTL1 (0.41) GAAKMT2AALDH1A1MEN1CYP2C19

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-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 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 (3 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 LMNA 4636/4885GAA 1638/4885KEAP1 3964/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 LMNA 4636/4885GAA 1638/4885KEAP1 3964/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 LMNA 4636/4885GAA 1638/4885KEAP1 3964/4885

“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.