SCHEMBL4300740

SCHEMBL4300740

CCCC[C@H](CNC(C)=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
CA2 P00918 6/20 0.35
CA1 P00915 4/20 0.35
PLA2G2C Q5R387 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA3 P32297 1/20 0.33
SLC15A1 P46059 1/20 0.33
EPHX1 P07099 1/20 0.33
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32

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
SCHEMBL4300742 1.00 PAOX (0.36) PAOXDPP7ZDHHC7CA2CA1
SCHEMBL17809097 0.89 CHRNB2 (0.36) PAOXZDHHC7MAPK1KDM4EHIF1A
SCHEMBL5078440 0.77 LCK (0.38) ZDHHC7EPHX1LCKPPARDZDHHC20
SCHEMBL765874 0.76 TSHR (0.45) PAOXDPP7ZDHHC7CA2CA1
SCHEMBL18085370 0.75 ACE2 (0.41) PAOXDPP7ZDHHC7CA2CA1
SCHEMBL10112804 0.75 ACE2 (0.41) PAOXDPP7ZDHHC7CA2CA1
SCHEMBL19519903 0.75 ACE2 (0.41) PAOXDPP7ZDHHC7CA2CA1
SCHEMBL2105851 0.73 TSHR (0.57) CA2CA1MAPK1KDM4E
SCHEMBL18125223 0.73 DPP7 (0.46) PAOXDPP7CA2CA1SLC15A1
SCHEMBL18638052 0.73 TSHR (0.57) CA2CA1MAPK1KDM4E

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
US-7632970-B2 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-15 US disclosed
US-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-20 US disclosed
EP-1640361-A2 ASYMMETRIC UREA COMPOUND AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUND BY ASYMMETRIC CONJUGATE ADDITION REACTION WITH THE SAME AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP 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-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst RAD18, UTP18, UBE2G2 PAOX 4065/4885DPP7 3513/4885ZDHHC7 1712/4885

“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.