SCHEMBL4842428

SCHEMBL4842428

C=CC[C@H](NC(=O)O)C(=O)N(C)C(C=C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.36
UTS2R Q9UKP6 3/20 0.33
MTOR P42345 1/20 0.33
MMP2 P08253 4/20 0.33
MMP3 P08254 4/20 0.33
MMP7 P09237 3/20 0.33
MMP8 P22894 3/20 0.33
MMP9 P14780 2/20 0.33
MMP14 P50281 2/20 0.33
OPRK1 P41145 1/20 0.32
MMP1 P03956 3/20 0.32
ADAM17 P78536 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 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
SCHEMBL4843912 1.00 CYP2C19 (0.42) CYP2C19SMN1; SMN2LMNAUTS2RMTOR
SCHEMBL14254594 0.84 OPRK1 (0.51) LMNAOPRK1
SCHEMBL14254584 0.84 OPRK1 (0.51) LMNAOPRK1
SCHEMBL17497762 0.82 GAA (0.50) CYP2C19
SCHEMBL17497365 0.82 GAA (0.50) CYP2C19
SCHEMBL17497362 0.82 GAA (0.50) CYP2C19
SCHEMBL17497769 0.82 GAA (0.50) CYP2C19
SCHEMBL17497546 0.82 GAA (0.50) CYP2C19
SCHEMBL8751571 0.74 LMNA (0.47) CYP2C19LMNAMTOR
SCHEMBL12495087 0.72 TSHR (0.41) CYP2C19SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342007-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2008-03-11 US disclosed
US-20060183732-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-08-17 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-20060183732-A1 Novel lactams and uses thereof BACE1, BACE2, APP CYP2C19 841/4885SMN1; SMN2 975/4885LMNA 2273/4885

“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.