SCHEMBL25801739

SCHEMBL25801739

CCOP(=O)(OCC)C(CC(=O)OC(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HMGCR P04035 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
SCHEMBL25801646 0.87 ALDH1A1 (0.41) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL30050578 0.85 GAA (0.38) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL6819825 0.82 GAA (0.36) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL22615742 0.82 GAA (0.33) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL23578550 0.81 GAA (0.35) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1984906 0.81 ALDH1A1 (0.41) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5575508 0.80 CYP3A4 (0.38) GAACYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL23578214 0.78 GAA (0.34) GAACYP3A4CYP2C9CYP2C19HMGCR
SCHEMBL13269359 0.77 POLB (0.38) GAACYP3A4CYP2C9CYP2C19HMGCR
SCHEMBL23588131 0.76 GAA (0.35) GAACYP3A4CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 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 (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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 GAA 1592/4885CYP3A4 2364/4885CYP2C9 2299/4885
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES PTGS1, PTGER1, PTGES2 GAA 3720/4885CYP3A4 1482/4885CYP2C9 2017/4885

“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.