SCHEMBL25801750

SCHEMBL25801750

CCOP(C)(=O)C(Cc1nc(CCc2ccc(Cl)cc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.37
LMNA P02545 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL25801838 0.95 SIRT2 (0.33) TRPA1LMNAPPARGPPARACYP1A2
SCHEMBL25801850 0.93 L3MBTL1 (0.33) SMN1; SMN2MAPT
SCHEMBL25801881 0.93 L3MBTL1 (0.33) TRPA1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL23578499 0.92 TRPA1 (0.37) TRPA1LMNAPPARGPPARASLC26A6
SCHEMBL25801748 0.92 MAPT (0.41) TRPA1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL25801784 0.89 MAPT (0.39) LMNAPPARGPPARACYP1A2CYP2D6
SCHEMBL25804964 0.86 SIRT2 (0.33) TRPA1LMNAPPARGPPARASLC26A6
SCHEMBL25801972 0.86 MEN1 (0.35) LMNASMN1; SMN2MAPT
SCHEMBL25801777 0.84 MEN1 (0.35) LMNAMAPT
SCHEMBL25801774 0.84 KMT2A (0.36) LMNAPPARGPPARACYP1A2CYP2C9

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 TRPA1 4592/4885LMNA 3388/4885PPARG 715/4885

“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.