SCHEMBL21787641

SCHEMBL21787641

COC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(CCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.46
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
PPARA Q07869 3/20 0.42
CYP4F2 P78329 1/20 0.42
NR1H2 P55055 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
KLK5 Q9Y337 2/20 0.39
CA2 P00918 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL31724481 0.87 CTSS (0.48) CTSKCTSSPPARAITGB3ITGA2B
SCHEMBL8667675 0.82 CTSS (0.46) CYP4A11CTSKCTSSPPARACYP4F2
SCHEMBL8667664 0.82 CTSS (0.49) CTSKCTSSPPARAITGB3ITGA2B
SCHEMBL12801872 0.81 CTSK (0.41) CTSKCTSSITGB3ITGA2BCA2
SCHEMBL3379645 0.81 CTSS (0.48) CTSKCTSSNR1H2ITGB3ITGA2B
SCHEMBL3379647 0.81 CTSS (0.48) CTSKCTSSNR1H2ITGB3ITGA2B
SCHEMBL9973448 0.80 CTSK (0.47) CTSKCTSSPPARANR1H2PPARG
SCHEMBL8666252 0.80 MAPT (0.45) CTSKCTSSPPARAITGB3ITGA2B
SCHEMBL2582580 0.80 CTSS (0.48) CTSKCTSSKLK5
SCHEMBL14254331 0.80 CTSS (0.48) CTSKCTSSPPARAKLK5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 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 (3 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-11666555-B2 RelA inhibitors for biofilm disruption RELA, NFKBIA, NFKB1 CYP4A11 3722/4885CTSK 1207/4885CTSS 1269/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 CYP4A11 3722/4885CTSK 1207/4885CTSS 1269/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 CYP4A11 3722/4885CTSK 1207/4885CTSS 1269/4885

“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.