SCHEMBL25349245

SCHEMBL25349245

CCOC(=O)CCCNC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.53
▸ ACHE P22303 8/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 2/20 0.48
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48

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
Hydrochloric Acid SCHEMBL4415432 0.98 CYP1A2 (0.52) CYP1A2ACHEHDAC3HDAC4HDAC1
SCHEMBL31126988 0.90 EPHX1 (0.55) CYP1A2ACHECYP3A4CYP2C19ALDH1A1
SCHEMBL27673522 0.88 ACHE (0.64) ACHESMN1; SMN2EPHX2
SCHEMBL1425763 0.88 GAA (0.52) CYP1A2ACHEHDAC3HDAC4HDAC1
SCHEMBL10778878 0.86 ACHE (0.53) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7570219 0.85 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL21068069 0.85 ACHE (0.61) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL50331 0.84 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL7385877 0.84 ACHE (0.52) ACHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL7770088 0.84 ACHE (0.52) ACHEHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110386882-A (S) preparation method of the chloro- 2- of -4- ((ethoxy carbonyl) amino) ethyl butyrate 利尔化学股份有限公司 2019-10-29 — — CN claimed
US-20230257740-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF TRANSTHYRETIN BANK OF AMERICA, N.A. 2023-08-17 — — US disclosed
CN-110386882-A (S) preparation method of the chloro- 2- of -4- ((ethoxy carbonyl) amino) ethyl butyrate 利尔化学股份有限公司 2019-10-29 — — CN disclosed
CN-110386882-A (S) preparation method of the chloro- 2- of -4- ((ethoxy carbonyl) amino) ethyl butyrate 利尔化学股份有限公司 2019-10-29 — — 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 (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-20230257740-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF TRANSTHYRETIN TTR, RNGTT, RNASE1 CYP1A2 4540/4885ACHE 3277/4885HDAC3 4350/4885

“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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