SCHEMBL25801838

SCHEMBL25801838

CCOP(C)(=O)C(Cc1nc(CCCc2ccc(Cl)cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.33
TRPA1 O75762 3/20 0.33
LMNA P02545 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SRC P12931 1/20 0.32
ZAP70 P43403 1/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25801750 0.95 TRPA1 (0.37) TRPA1LMNAPPARGPPARACYP1A2
SCHEMBL25804964 0.92 SIRT2 (0.33) SIRT2TRPA1LMNAPPARGPPARA
SCHEMBL25801748 0.90 MAPT (0.41) TRPA1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL25801784 0.88 MAPT (0.39) LMNAPPARGPPARACYP1A2CYP2D6
SCHEMBL25801850 0.87 L3MBTL1 (0.33) SMN1; SMN2SRCMAPT
SCHEMBL25801881 0.87 L3MBTL1 (0.33) TRPA1CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL25801790 0.87 MEN1 (0.34) LMNAPPARGPPARASRCZAP70
SCHEMBL23578499 0.86 TRPA1 (0.37) SIRT2TRPA1LMNAPPARGPPARA
SCHEMBL25801813 0.86 SRC (0.33) LMNASRC
SCHEMBL25801915 0.84 SRC (0.34) SRC

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-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 (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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 SIRT2 163/4885TRPA1 4592/4885LMNA 3388/4885

“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.