SCHEMBL13530394

SCHEMBL13530394

N#Cc1cccc(COc2ncc(F)c(NC(=O)OCc3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.45
BTK Q06187 3/20 0.44
SGMS2 Q8NHU3 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
VNN1 O95497 1/20 0.41
ALKBH1 Q13686 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MGLL Q99685 2/20 0.40
ROCK2 O75116 1/20 0.40
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39

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 0.90 FFAR1 (0.44) PPIABTKSGMS2FFAR1FFAR4
SCHEMBL13530372 0.88 ALDH1A1 (0.42) PPIABTKSGMS2FFAR1FFAR4
SCHEMBL13529743 0.88 ROCK2 (0.49) MGLLROCK2MAOBNPC1RAB9A
SCHEMBL13530119 0.87 MGLL (0.46) PPIABTKSGMS2MGLLROCK2
SCHEMBL13530239 0.86 PPIA (0.56) PPIASGMS2FFAR1FFAR4VNN1
SCHEMBL13530486 0.86 NLRP3 (0.45) BTKSGMS2FFAR1FFAR4ADAMTS4
SCHEMBL13529616 0.86 SMN1; SMN2 (0.48) PPIASGMS2FFAR1FFAR4VNN1
SCHEMBL13529512 0.84 PPIF (0.50) PPIASGMS2FFAR1FFAR4ALDH1A1
SCHEMBL13529607 0.84 MGLL (0.48) PPIAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13529896 0.84 MMP1 (0.46) BTKSGMS2MAOBNPC1RAB9A

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 10 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-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 PPIA 3645/4885BTK 1111/4885SGMS2 3439/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PPIA 3645/4885BTK 1111/4885SGMS2 3439/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 PPIA 3645/4885BTK 1111/4885SGMS2 3439/4885

“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.