SCHEMBL4248762

SCHEMBL4248762

C#CCOc1ccc(C(=O)NC2(C)CCCCC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
CTSS P25774 4/20 0.44
CTSL P07711 2/20 0.44
CNR2 P34972 1/20 0.42
ANO1 Q5XXA6 2/20 0.41
LPAR1 Q92633 1/20 0.40
CYP2B6 P20813 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
STS P08842 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HTR2A P28223 1/20 0.36
CTSB P07858 1/20 0.36
ABL1 P00519 1/20 0.36
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL4241529 0.87 SLC6A5 (0.44) CTSKCTSSCTSLCYP2B6SLC6A5
SCHEMBL4244884 0.85 CTSK (0.40) CTSKCTSSCTSLCNR2ANO1
SCHEMBL4240867 0.83 P2RX7 (0.43) CTSKCTSSCTSLCNR2SLC6A5
SCHEMBL4249982 0.81 TAS1R3 (0.41) CTSKCTSSCTSLLPAR1CYP2B6
SCHEMBL3286029 0.79 CYP2B6 (0.43) CNR2CYP2B6KCNQ3KCNQ2TAS1R3
SCHEMBL4253070 0.78 HDAC6 (0.49) KMT2A
SCHEMBL4242748 0.77 RAB9A (0.51) TP53
SCHEMBL12850756 0.77 TP53 (0.52) SLC6A5HTR2ATP53KMT2A
SCHEMBL4604796 0.77 THRA (0.36) CYP2B6SLC6A5
SCHEMBL3285897 0.77 KMT2A (0.49) CYP2B6KCNQ3KCNQ2TAS1R3TAS1R1

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.