SCHEMBL22769358

SCHEMBL22769358

CCOC(=O)C(C=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CTSK P43235 5/20 0.34
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PKM P14618 1/20 0.33
IGF1R P08069 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PTPRC P08575 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL31173624 0.76 MGAM (0.39) CYP2C9CYP2C19SMN1; SMN2GAAMGAM
SCHEMBL28069562 0.76 CTSK (0.43) CTSKPTPRCCYP2D6
SCHEMBL7437449 0.74 GAA (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL15493551 0.74 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL763067 0.72 CA12 (0.38) CTSKGAAMGAMSIMGAM2
SCHEMBL20987669 0.71 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL1508734 0.70 CYP2D6 (0.42) CTSKGAAMAPTPTPRCMEN1
SCHEMBL22769343 0.70 MGAM (0.41) CYP2C9CYP2C19SMN1; SMN2GAAMGAM
SCHEMBL5409583 0.70 L3MBTL1 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7438213 0.70 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2

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-11498909-B2 Compound acting as antibiotics KBP BIOSCIENCES CO., LTD. (CN) 2022-11-15 US disclosed
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS KBP BIOSCIENCES CO., LTD. (CN) 2020-12-17 US disclosed
EP-3750881-A1 COMPOUND ACTING AS ANTIBIOTICS KBP Biosciences Co., Ltd. (CN) 2020-12-16 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 (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-11498909-B2 Compound acting as antibiotics PEPD, NRDC, DPP4 CYP1A2 930/4885CYP2C9 283/4885CYP2C19 194/4885
US-20200392096-A1 COMPOUND ACTING AS ANTIBIOTICS PEPD, NRDC, DPP4 CYP1A2 930/4885CYP2C9 283/4885CYP2C19 194/4885

“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.