SCHEMBL22930076

SCHEMBL22930076

C=CCOC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CTSK P43235 5/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CTSS P25774 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CAPN1 P07384 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL25749303 0.89 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL14743954 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL14743953 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL2388449 0.85 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL21510656 0.85 HTT (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL20799085 0.83 CYP1A2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17232237 0.81 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL20095048 0.81 CTSK (0.46) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18915424 0.81 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18915447 0.81 CYP1A2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 — — 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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK SMN1; SMN2 3584/4885CYP1A2 4883/4885CYP2C9 4649/4885

“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.

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