SCHEMBL4167930

SCHEMBL4167930

O=C(O)C[C@H](NC(=O)C=Cc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 3/20 0.57
TRPM8 Q7Z2W7 2/20 0.52
KDM4E B2RXH2 6/20 0.52
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAOB P27338 2/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL4167921 1.00 SMN1; SMN2 (0.57) SMN1; SMN2MAPTTRPM8KDM4EHPGD
SCHEMBL13802873 0.90 ALDH1A1 (0.53) SMN1; SMN2MAPTTRPM8KDM4EHPGD
SCHEMBL13802871 0.90 KDM4E (0.53) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL13802870 0.90 KDM4E (0.54) SMN1; SMN2MAPTKDM4EHPGDALDH1A1
SCHEMBL5223254 0.89 MAPT (0.61) SMN1; SMN2MAPTTRPM8KDM4EHPGD
SCHEMBL14131559 0.89 MAPT (0.61) SMN1; SMN2MAPTTRPM8KDM4EHPGD
SCHEMBL13802869 0.87 KDM4E (0.52) SMN1; SMN2MAPTTRPM8KDM4EHPGD
SCHEMBL13802874 0.86 SMN1; SMN2 (0.49) SMN1; SMN2MAPTTRPM8KDM4EHPGD
SCHEMBL13802890 0.81 MAPT (0.51) SMN1; SMN2MAPTKDM4EALDH1A1POLB
SCHEMBL13802856 0.80 MAPT (0.55) SMN1; SMN2MAPTKDM4EHPGDALDH1A1

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-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-20060178369-A1 Cinnamic acid amides INTERMED DISCOVERY GMBH (DE) 2006-08-10 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 (2 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-20060178369-A1 Cinnamic acid amides PIGS, NISCH, PIGO SMN1; SMN2 2623/4885MAPT 2050/4885TRPM8 2857/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO SMN1; SMN2 2623/4885MAPT 2050/4885TRPM8 2857/4885

“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.