SCHEMBL13530486

SCHEMBL13530486

CCOC(=O)COC(=O)Nc1nc(OCc2cccc(C#N)c2)ncc1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.45
BTK Q06187 3/20 0.42
FFAR1 O14842 2/20 0.41
SGMS2 Q8NHU3 1/20 0.39
SYK P43405 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MAOB P27338 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
SCHEMBL13529818 0.94 FFAR1 (0.44) BTKFFAR1SGMS2SYKADAMTS4
SCHEMBL13529691 0.88 NLRP3 (0.49) NLRP3BTKFFAR1SYKMAOB
SCHEMBL13530394 0.86 PPIA (0.45) BTKFFAR1SGMS2SYKADAMTS4
SCHEMBL13529495 0.86 NLRP3 (0.50) NLRP3SYK
SCHEMBL13530372 0.86 ALDH1A1 (0.42) BTKFFAR1SGMS2ADAMTS4MMP13
SCHEMBL13529581 0.82 NLRP3 (0.47) NLRP3SYKMAOB
SCHEMBL13529742 0.82 NLRP3 (0.47) NLRP3MAOB
SCHEMBL13530326 0.81 MAOB (0.48) BTKFFAR1SGMS2MAOB
SCHEMBL13529562 0.81 CNR1 (0.42) BTKFFAR1SGMS2SYKADAMTS4
SCHEMBL13530232 0.80 ADAMTS4 (0.44) NLRP3FFAR1SGMS2SYKADAMTS4

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 NLRP3 1163/4885BTK 1111/4885FFAR1 2513/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 NLRP3 1163/4885BTK 1111/4885FFAR1 2513/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 NLRP3 1163/4885BTK 1111/4885FFAR1 2513/4885

“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.