SCHEMBL27429007

SCHEMBL27429007

COC(=O)[C@@H](N)Cc1ccc(OCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA9 Q16790 5/20 0.59
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
SUCNR1 Q9BXA5 5/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDK2 Q15119 1/20 0.44
ALDH1A1 P00352 1/20 0.44
IDO1 P14902 1/20 0.44
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL27433821 1.00 CA12 (0.59) CA12CA1CA2CA9ITGB3
SCHEMBL30149840 0.94 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL7493207 0.93 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL7293433 0.92 CA12 (0.61) CA12CA1CA2CA9ITGB3
SCHEMBL21602848 0.91 CA12 (0.57) CA12CA1CA2CA9ITGB3
SCHEMBL28577195 0.89 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL2025554 0.89 CA12 (0.60) CA12CA1CA2CA9ITGB3
SCHEMBL6714729 0.87 CA12 (0.57) CA12CA1CA2CA9ITGB3
SCHEMBL22046128 0.84 CA12 (0.62) CA12CA1CA2CA9ITGB3
SCHEMBL27429001 0.83 ITGB3 (0.52) CA12CA1CA2CA9ITGB3

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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 US disclosed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS CA12 1550/4885CA1 1364/4885CA2 2797/4885

“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.