SCHEMBL22552563

SCHEMBL22552563

O=C(N[C@H](C(=O)O)C1CCN(c2ccccc2)CC1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.45
GFER P55789 1/20 0.45
PREP P48147 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
DPP4 P27487 1/20 0.44
KCNH2 Q12809 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
CTRB1 P17538 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
HRH1 P35367 1/20 0.44
VCP P55072 1/20 0.44
ME3 Q16798 1/20 0.44

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
SCHEMBL22552564 1.00 ITGB3 (0.48) ITGB3ITGA2BLMNASMN1; SMN2MAPK1
SCHEMBL28418424 0.91 POLB (0.49) ITGB3ITGA2BLMNASMN1; SMN2MAPK1
SCHEMBL28418425 0.91 POLB (0.49) ITGB3ITGA2BLMNASMN1; SMN2MAPK1
SCHEMBL2163641 0.87 CTRB1 (0.52) LMNASMN1; SMN2ALDH1A1CYP1A2DPP4
SCHEMBL1440328 0.87 CTRB1 (0.52) LMNASMN1; SMN2ALDH1A1CYP1A2DPP4
SCHEMBL7337637 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2DPP4KCNH2DPP7
SCHEMBL7810127 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2DPP4KCNH2DPP7
SCHEMBL7333566 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2DPP4KCNH2DPP7
SCHEMBL1162837 0.84 CTSK (0.49) ITGB3ITGA2BLMNAALDH1A1CYP1A2
SCHEMBL3374501 0.84 CTSK (0.49) ITGB3ITGA2BLMNAALDH1A1CYP1A2

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-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 US disclosed
CN-111148739-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2020-05-12 CN 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP ITGB3 4794/4885ITGA2B 4338/4885LMNA 637/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ITGB3 4794/4885ITGA2B 4338/4885LMNA 637/4885

“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.