SCHEMBL9192532

SCHEMBL9192532

C=CCOC(=O)N1CCOC[C@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.47
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LRRK2 Q5S007 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ERN1 O75460 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
CYP19A1 P11511 1/20 0.31
APOL1 O14791 1/20 0.31
RAB9A P51151 2/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL27305125 1.00 PDK1 (0.47) PDK1PDK2PDK3L3MBTL1LRRK2
SCHEMBL28629931 1.00 PDK1 (0.47) PDK1PDK2PDK3L3MBTL1LRRK2
SCHEMBL20101959 0.82 SIGMAR1 (0.33) PDK1PDK2PDK3L3MBTL1SIGMAR1
SCHEMBL9382425 0.80 FKBP1A (0.39) SIGMAR1ERN1CHRM1TSHRELANE
SCHEMBL20101960 0.79 CYP19A1 (0.36) PDK1PDK2PDK3SIGMAR1ERN1
SCHEMBL9382048 0.79 CA12 (0.35) PDK1PDK2PDK3SIGMAR1ERN1
SCHEMBL12311395 0.78 PDK1 (0.48) PDK1PDK2PDK3L3MBTL1LRRK2
SCHEMBL8865107 0.78 POLB (0.54) L3MBTL1SIGMAR1CHRM1ELANECTSG
SCHEMBL8865091 0.78 POLB (0.54) L3MBTL1SIGMAR1CHRM1ELANECTSG
SCHEMBL31390235 0.77 PDK1 (0.53) PDK1PDK2PDK3L3MBTL1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 US disclosed
CN-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed
EP-0330108-B1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1995-12-27 EP disclosed
US-5081237-A Chemical intermediates for bactericides FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-14 US disclosed
US-4923857-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0330108-A1 3-Alkenyl-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-30 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 (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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 PDK1 1680/4885PDK2 1184/4885PDK3 1601/4885

“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.