SCHEMBL4244884

SCHEMBL4244884

C#CCOc1c(F)cc(C(=O)NC2(C)CCCCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.40
CTSS P25774 4/20 0.40
CTSL P07711 2/20 0.40
ANO1 Q5XXA6 3/20 0.39
TP53 P04637 1/20 0.37
CNR2 P34972 1/20 0.37
SLC6A5 Q9Y345 5/20 0.36
WDR5 P61964 1/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
CTSB P07858 1/20 0.33

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
SCHEMBL4249769 0.86 TP53 (0.43) CTSKCTSSCTSLTP53SLC6A5
SCHEMBL4241632 0.85 CTSS (0.42) CTSKCTSSCTSLTP53SLC6A5
SCHEMBL4248762 0.85 CTSK (0.44) CTSKCTSSCTSLANO1TP53
SCHEMBL4244001 0.85 LPAR1 (0.43) CTSKCTSSCTSLCNR2NR4A1
SCHEMBL12850756 0.85 TP53 (0.52) TP53SLC6A5P2RX3
SCHEMBL2282163 0.85 CNR2 (0.39) CTSKCTSSCTSLTP53CNR2
SCHEMBL4251464 0.84 CTSL (0.39) CTSKCTSSCTSLANO1CTSB
SCHEMBL4602866 0.83 NR4A1 (0.34) CTSKCTSSCTSLANO1TP53
SCHEMBL2289214 0.83 TP53 (0.58) TP53SLC6A5
SCHEMBL2287126 0.82 P2RX7 (0.45) TP53CNR2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO 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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA CTSK 2612/4885CTSS 2052/4885CTSL 3909/4885

“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.