SCHEMBL25801531

SCHEMBL25801531

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25801535 0.85 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL5575508 0.84 CYP3A4 (0.38) TSHRCYP2C9CYP2C19CYP3A4HTT
SCHEMBL25801865 0.84 NOS1 (0.30)
SCHEMBL13641265 0.82 CTSS (0.32)
SCHEMBL25801863 0.82 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL25802002 0.79 MMP8 (0.33)
SCHEMBL22207787 0.76 TSHR (0.37) TSHR
SCHEMBL13269359 0.75 POLB (0.38) CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL6819825 0.73 GAA (0.36) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL4807731 0.73 GAA (0.39) CYP2C9CYP2C19CYP3A4HTTSMN1; 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 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 TSHR 3550/4885CYP2C9 2299/4885CYP2C19 2454/4885
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES PTGS1, PTGER1, PTGES2 TSHR 3299/4885CYP2C9 2017/4885CYP2C19 2218/4885

“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.