SCHEMBL4549502

SCHEMBL4549502

CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=S)Nc2ccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)[C@@H]1OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TGFBR1 P36897 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL18098972 0.90 SCN10A (0.35) MAOAMAOBMAPTSCN10AABL1
SCHEMBL18098943 0.90 SCN10A (0.35) MAOAMAOBMAPTSCN10AABL1
SCHEMBL19244942 0.88 MAP4K4 (0.31)
SCHEMBL19244941 0.87 ABL1 (0.34) DHODHMAOAMAOBMAPTL3MBTL1
SCHEMBL13741452 0.85 CXCR2 (0.37) MAPTL3MBTL1LMNASCN10AABL1
SCHEMBL18098879 0.83 CXCR2 (0.37) LMNAKDM4EABL1EPHX2ALDH1A1
SCHEMBL6758611 0.82 LMNA (0.33) LMNAKMT2ASMN1; SMN2
SCHEMBL2743568 0.81 MAP4K4 (0.38) MAPTSCN10AABL1ADORA3
SCHEMBL2743569 0.81 MAP4K4 (0.38) MAPTSCN10AABL1ADORA3
SCHEMBL18098907 0.80 MAOA (0.33) MAOAMAOBMAPTKDM4EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (1 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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP DHODH 163/4885MAOA 760/4885MAOB 1349/4885

“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.